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850 Commits

Author SHA1 Message Date
Maarten L. Hekkelman
6fe5a04cc0 static zlib on windows 2022-11-09 19:52:54 +01:00
Maarten L. Hekkelman
426432885e back on linux 2022-11-09 18:57:32 +01:00
Maarten L. Hekkelman
9bc3381814 First steps to compile libcifpp 5 in Windows 2022-11-09 17:23:47 +01:00
Maarten L. Hekkelman
f3a492fd67 Fix regex include 2022-11-09 15:07:04 +01:00
Maarten L. Hekkelman
8cd2aa46b6 simply include boost-regex 2022-11-09 14:58:25 +01:00
Maarten L. Hekkelman
d638d634ba Remove gxrio and replace it with stripped down version 2022-11-09 14:23:51 +01:00
Maarten L. Hekkelman
35196789e0 updated makefile, use system regex if good enough 2022-11-09 10:33:44 +01:00
Maarten L. Hekkelman
e907ce6c29 exclude regex from tar 2022-11-09 09:19:39 +01:00
Maarten L. Hekkelman
b80bc20d17 Use system installed boost headers for regex, when available 2022-11-09 08:54:56 +01:00
Maarten L. Hekkelman
3a87eaa435 include utility
exclude from all for gxrio
2022-11-08 15:46:03 +01:00
Maarten L. Hekkelman
143eb57f04 Removed remaining mrc_add_resources call 2022-11-08 15:38:06 +01:00
Maarten L. Hekkelman
6cc550bf18 oops 2022-11-08 15:20:29 +01:00
Maarten L. Hekkelman
7f5336661b Error reporting 2022-11-08 14:53:15 +01:00
Maarten L. Hekkelman
e44539ef2c Checks before building indices. Better error reporting 2022-11-08 13:45:06 +01:00
Maarten L. Hekkelman
a2f5850173 avoid crash on empty branches 2022-11-08 09:29:15 +01:00
Maarten L. Hekkelman
283f4883f7 Fix makefile 2022-11-08 08:43:49 +01:00
Maarten L. Hekkelman
ce9842f671 Fix in PDB export
Better add_git_submodule
2022-11-08 08:28:02 +01:00
Maarten L. Hekkelman
b784433fd7 less verbose parser 2022-11-07 17:00:49 +01:00
Maarten L. Hekkelman
8c064e7c0a version bump 2022-11-07 12:37:01 +01:00
Maarten L. Hekkelman
c15a8bd127 export source tarballs 2022-11-07 12:32:14 +01:00
Maarten L. Hekkelman
64e40e7b31 Fix writing PDB CISPEP records
Better checking for open files
More verbose parser
2022-11-07 11:06:06 +01:00
Maarten L. Hekkelman
06d254e0de Revert "Use system version of boost regex, when available"
This reverts commit eaa342ca32.
2022-11-03 16:52:09 +01:00
Maarten L. Hekkelman
eaa342ca32 Use system version of boost regex, when available 2022-11-03 16:36:14 +01:00
Maarten L. Hekkelman
782f7c467b Support for cifv1.0 (empty category names) 2022-11-03 15:48:58 +01:00
Maarten L. Hekkelman
c45d02cb70 sigh 2022-11-03 13:09:04 +01:00
Maarten L. Hekkelman
5b4c131eea More verbose 2022-11-03 13:00:11 +01:00
Maarten L. Hekkelman
bbe71af99e Accept invalid CCD component files, for now 2022-11-03 12:18:26 +01:00
Maarten L. Hekkelman
49912d019f Better error reporting 2022-11-03 11:43:57 +01:00
Maarten L. Hekkelman
d4758e09d7 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-11-03 09:37:38 +01:00
Maarten L. Hekkelman
f0a913cc07 Fixes for deuterium...
Fixes for sugar branches
2022-11-03 09:37:31 +01:00
Maarten L. Hekkelman
8b0b8e3688 removed submodule 2022-11-01 16:52:42 +01:00
Maarten L. Hekkelman
de4fc8a015 Added necessary include 2022-11-01 16:50:54 +01:00
Maarten L. Hekkelman
bf1e56ec53 Another attempt 2022-11-01 16:29:59 +01:00
Maarten L. Hekkelman
040b4e4ff9 clean up 2022-11-01 14:54:26 +01:00
Maarten L. Hekkelman
4666ee3145 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-11-01 14:54:10 +01:00
Maarten L. Hekkelman
2958c56a92 change parser to use streambuf directly 2022-11-01 14:53:17 +01:00
Maarten L. Hekkelman
9cff8768ab Merge branch 'potential-performance-gain' into trunk 2022-11-01 13:41:06 +01:00
Maarten L. Hekkelman
cc671b8006 fixes in numeric conversions 2022-11-01 13:41:01 +01:00
Maarten L. Hekkelman
728abe6d0e less verbose pdb2cif 2022-11-01 12:11:04 +01:00
Maarten L. Hekkelman
7b8f3f2538 optimise retract buffer 2022-11-01 11:56:18 +01:00
Maarten L. Hekkelman
98db98f916 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-11-01 09:54:20 +01:00
Maarten L. Hekkelman
96a67b23ca Fix loading dictionaries 2022-11-01 09:53:36 +01:00
Maarten L. Hekkelman
2c3d7542e5 no submodule for gxrio 2022-11-01 08:45:52 +01:00
Maarten L. Hekkelman
f84d83b723 Add gxrio dependency again 2022-10-31 10:50:53 +01:00
Maarten L. Hekkelman
b1837ba029 for freebsd 2022-10-31 10:35:28 +01:00
Maarten L. Hekkelman
260438fa44 fix for meta project 2022-10-30 19:51:29 +01:00
Maarten L. Hekkelman
23d82beb04 Fix version string 2022-10-30 13:02:53 +01:00
Maarten L. Hekkelman
19db5d736b Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-10-30 11:14:16 +01:00
Maarten L. Hekkelman
6946c40657 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-10-30 11:12:30 +01:00
Maarten L. Hekkelman
bd3723ee20 Do not crash on empty rows (find result) 2022-10-30 11:12:19 +01:00
Maarten L. Hekkelman
1f078d4827 update for meta project 2022-10-30 10:28:01 +01:00
Maarten L. Hekkelman
3c62a38667 write out PDB files 2022-10-28 16:13:33 +02:00
Maarten L. Hekkelman
7ffda74e3d pdb2cif, avoid duplicate key violation on REMARK 350 2022-10-26 16:43:21 +02:00
Maarten L. Hekkelman
560f6debc6 updating dictionaries and default to downloading components.cif 2022-10-26 15:46:50 +02:00
Maarten L. Hekkelman
ea1ac33de8 Update README.md
No more boost requirement
2022-10-26 15:30:56 +02:00
Maarten L. Hekkelman
7ea30237ae Merge branch 'trunk' into new-develop 2022-10-26 15:23:35 +02:00
Maarten L. Hekkelman
bc668487e2 Fix installation of dictionary files 2022-10-26 14:29:40 +02:00
Maarten L. Hekkelman
1769f9864b Fixed TLS parser, and more 2022-10-26 13:23:23 +02:00
Maarten L. Hekkelman
75ffd97802 use gxrio internally for reading pdb files 2022-10-25 12:41:14 +02:00
Maarten L. Hekkelman
cfd5b7da0f Reintroduce more atom members 2022-10-25 11:51:35 +02:00
Maarten L. Hekkelman
26b7d1df26 Write chem_comp for polymer residues in pdb2cif 2022-10-21 16:01:12 +02:00
Maarten L. Hekkelman
0747929cd6 Allow missing CRYST1 record in PDB files... finally 2022-10-21 15:42:19 +02:00
Maarten L. Hekkelman
5bcfb102f4 change_residue fix 2022-10-20 19:48:26 +02:00
Maarten L. Hekkelman
908fb1ccea gxrio dependency 2022-10-20 13:36:18 +02:00
Maarten L. Hekkelman
af8389baa4 fix dependencies 2022-10-11 15:36:53 +02:00
Maarten L. Hekkelman
24ca1017cd Fix mm::polymer to have its own auth_asym_id 2022-10-11 12:17:42 +02:00
Maarten L. Hekkelman
85c21aeb01 row as vector 2022-10-11 09:05:03 +02:00
Maarten L. Hekkelman
2f249048d9 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2022-10-10 09:03:34 +02:00
Maarten L. Hekkelman
974cb40ab3 for gcc 9.4 2022-10-10 09:01:40 +02:00
Maarten L. Hekkelman
c01c16ea60 more accessors in cif::mm::atom 2022-10-05 17:04:39 +02:00
Maarten L. Hekkelman
bd157c249c Reintroduced PDB conversion code 2022-10-05 14:18:08 +02:00
Maarten L. Hekkelman
b0ac33c1b1 optimisation in query
fix memory problem in cif::item, making it safer
2022-10-05 13:21:57 +02:00
Maarten L. Hekkelman
82e73a9525 All tests pass 2022-10-05 10:13:53 +02:00
Maarten L. Hekkelman
adc316d671 Use index in lookup, when available
start branch code in model::structure (not done yet)
2022-10-04 13:57:38 +02:00
Maarten L. Hekkelman
6a0b6b99ac using index in category 2022-10-03 16:22:32 +02:00
Maarten L. Hekkelman
08dd9dd5b4 missing methods 2022-10-03 10:01:42 +02:00
Maarten L. Hekkelman
557a1c2d00 Reactivated several structure methods 2022-10-03 09:32:20 +02:00
Maarten L. Hekkelman
f77bbfedda updates 2022-10-03 08:41:50 +02:00
Maarten L. Hekkelman
3aa3fe19e2 Better validate diagnostic output 2022-09-30 10:25:55 +02:00
Maarten L. Hekkelman
35fcc0493e Moving cif::Structure back in as model 2022-09-28 17:11:04 +02:00
Maarten L. Hekkelman
9485bec2fa Moved symmetry back into libcifpp 2022-09-27 16:09:24 +02:00
Maarten L. Hekkelman
4b759e731c Moved code back into libcifpp, 3d stuff mainly 2022-09-27 14:34:31 +02:00
Maarten L. Hekkelman
7dd6a8a1aa fixes and updated submodules 2022-08-24 16:20:16 +02:00
Maarten L. Hekkelman
96725ae8b9 Clean up makefile 2022-08-19 13:55:35 +02:00
Maarten L. Hekkelman
b3a0ded9a8 add git submodule 2022-08-19 13:38:59 +02:00
Maarten L. Hekkelman
184c491803 changed find1 a bit more
reverted to returning empty results in case nothing is found
2022-08-18 17:20:41 +02:00
Maarten L. Hekkelman
f944b3ce00 changed find1 logic for only row_handles, now returns empty row_handle instead of throwing when not found
various condition fixes
2022-08-18 11:16:28 +02:00
Maarten L. Hekkelman
2557f41863 some documentation and cleanup of cif::item 2022-08-17 20:40:31 +02:00
Maarten L. Hekkelman
2b92cee3f7 some documentation and cleanup of cif::item 2022-08-17 20:14:48 +02:00
Maarten L. Hekkelman
8071768579 better row_handle::get 2022-08-17 19:39:14 +02:00
Maarten L. Hekkelman
71c8541b68 validate links
fix get_parents_condition
2022-08-17 17:08:38 +02:00
Maarten L. Hekkelman
3d66c77188 writing order 2022-08-17 16:02:57 +02:00
Maarten L. Hekkelman
8701512961 Remove cif++/Cif++.hpp
Implemented reorder by index
2022-08-17 15:29:14 +02:00
Maarten L. Hekkelman
b317c780ba Fixes for pre c++20
file constructor from raw data
2022-08-17 15:02:56 +02:00
Maarten L. Hekkelman
681aa3bf8b clean up 2022-08-17 11:24:29 +02:00
Maarten L. Hekkelman
a68e053471 Remove tests 2022-08-17 11:17:09 +02:00
Maarten L. Hekkelman
25a90e3b32 split out pdbx code
fix dangling memory reference
2022-08-17 11:14:06 +02:00
Maarten L. Hekkelman
2f62759dfe Before split-out of libpdbxpp 2022-08-17 08:50:56 +02:00
Maarten L. Hekkelman
cf9ec46ab8 Removed DSSP code, moved to dssp project 2022-08-16 16:57:25 +02:00
Maarten L. Hekkelman
ecbef51b10 - fix category::clear
- fix dssp TCO value
2022-08-16 16:34:15 +02:00
Maarten L. Hekkelman
dfff8c9587 condition work (children, parents) 2022-08-16 16:18:11 +02:00
Maarten L. Hekkelman
cc5d52bbf9 boost::regex usage 2022-08-16 16:17:56 +02:00
Maarten L. Hekkelman
a9e9f86c93 Renaming internal use of mmcif_pdbx dictionary. It was wrong to use the name mmcif_pdbx_v50 2022-08-16 16:17:30 +02:00
Maarten L. Hekkelman
a2c52713b2 Refactored dssp to be standalone 2022-08-16 11:50:43 +02:00
Maarten L. Hekkelman
545aca88d8 More info 2022-08-15 17:17:56 +02:00
Maarten L. Hekkelman
ac27248784 Started moving DSSP code 2022-08-15 15:37:07 +02:00
Maarten L. Hekkelman
5758bfbaea Required changes for FreeBSD 2022-08-15 10:11:11 +02:00
Maarten L. Hekkelman
8d3a079774 Fix regex for item_validator 2022-08-15 10:09:18 +02:00
Maarten L. Hekkelman
718c138510 Fix constructor for item 2022-08-15 09:49:23 +02:00
Maarten L. Hekkelman
29aac70e67 Changed boost::regex dependency to git submodule, in case it is needed 2022-08-15 08:59:47 +02:00
Maarten L. Hekkelman
700575adfe Merged 2022-08-15 07:42:51 +02:00
Maarten L. Hekkelman
9fe6e5df85 remove dependency on boost::program_options 2022-08-14 20:08:36 +02:00
Maarten L. Hekkelman
ce7434a463 Make boost::regex optional 2022-08-14 19:31:31 +02:00
Maarten L. Hekkelman
ad7d876d07 new dependency 2022-08-13 21:55:19 +02:00
Maarten L. Hekkelman
0dc19e86fa fixed example 2022-08-11 20:53:54 +02:00
Maarten L. Hekkelman
a12acaa5c7 moving from namespace cif::v2 to cif 2022-08-11 20:39:34 +02:00
Maarten L. Hekkelman
ff62efe720 More tests 2022-08-11 16:49:59 +02:00
Maarten L. Hekkelman
2407877184 Reordering all files 2022-08-11 15:44:59 +02:00
Maarten L. Hekkelman
5fde050738 debugging 2022-08-10 17:09:53 +02:00
Maarten L. Hekkelman
a855f88073 Getting rid of boost/algorithm/string 2022-08-10 16:46:48 +02:00
Maarten L. Hekkelman
cfa2acd61d backup 2022-08-08 08:10:22 +02:00
Maarten L. Hekkelman
d9db2fe2e7 insert 2022-08-07 20:48:59 +02:00
Maarten L. Hekkelman
15d62cd3b6 Fix mapping between pdbx_poly_seq_scheme and atom_site while reading an mmcif::Structure 2022-08-07 12:51:16 +02:00
Maarten L. Hekkelman
19a89aeb7e - start row_initializer 2022-08-07 11:49:09 +02:00
Maarten L. Hekkelman
677c61c32f moving insert_impl, index work 2022-08-06 16:08:34 +02:00
Maarten L. Hekkelman
4dd4f66397 backup 2022-08-04 16:29:55 +02:00
Maarten L. Hekkelman
04b7828abc validator work 2022-08-04 13:57:12 +02:00
Maarten L. Hekkelman
9c621ecab8 more condition work 2022-08-03 16:40:48 +02:00
Maarten L. Hekkelman
ab9c4d9416 compiling again 2022-08-03 16:09:27 +02:00
Maarten L. Hekkelman
e5eb62255a started with validator, running into the ground 2022-08-03 12:44:58 +02:00
Maarten L. Hekkelman
98ff79432b backup 2022-08-02 16:56:55 +02:00
Maarten L. Hekkelman
24fa80ba2a parser just started working again, a bit 2022-08-02 16:42:52 +02:00
Maarten L. Hekkelman
3999d792ef const iterator construction from non-const iterator 2022-08-02 11:59:29 +02:00
Maarten L. Hekkelman
4db3732749 move construction and operators = 2022-08-02 11:42:11 +02:00
Maarten L. Hekkelman
07131e8b40 copy constructor for category 2022-08-02 11:24:14 +02:00
Maarten L. Hekkelman
39b91e74c9 - new item storage
- formatting of numbers using to_chars
2022-08-02 10:35:14 +02:00
Maarten L. Hekkelman
d4bb7ec3bc Fixed includes based on feedback from Patricia Herrera. 2022-08-01 19:00:42 +02:00
Maarten L. Hekkelman
6175b7e359 backup 2022-08-01 16:58:52 +02:00
Maarten L. Hekkelman
10442d506a structured binding, start 2022-08-01 15:08:42 +02:00
Maarten L. Hekkelman
573a695c3d small steps 2022-08-01 12:57:00 +02:00
Maarten L. Hekkelman
a76bef0d01 backup 2022-08-01 08:33:49 +02:00
Maarten L. Hekkelman
e20111b566 small optimization 2022-07-31 16:19:24 +02:00
Maarten L. Hekkelman
4a1d9c8f75 New storage layout for item_value 2022-07-31 15:53:18 +02:00
Maarten L. Hekkelman
26c86282e3 before refactoring item_value based on statistics 2022-07-27 16:46:33 +02:00
Maarten L. Hekkelman
0eaeb1650d split out item 2022-07-27 12:41:25 +02:00
Maarten L. Hekkelman
f4a6533f6b eerste fröbelwerk 2022-07-26 17:00:14 +02:00
Maarten L. Hekkelman
df1b6a13e1 updated git ignore 2022-07-25 16:21:55 +02:00
Maarten L. Hekkelman
e8f24f617c - Fixed copy/paste error in Category interface
- message in progress finished
2022-07-25 10:40:03 +02:00
Maarten L. Hekkelman
9454fdc217 Fix for parsing empty quoted strings. 2022-07-21 13:03:23 +02:00
Maarten L. Hekkelman
22543d8fe5 Update changelog 2022-07-12 16:55:55 +02:00
Maarten L. Hekkelman
60d1dc82e6 Improved remark 3 parser for large molecules 2022-07-12 16:54:38 +02:00
Maarten L. Hekkelman
87486f87ef revert loading compressed dictionaries 2022-07-12 14:20:01 +02:00
Maarten L. Hekkelman
80e7da0f13 Locating dictionaries updated 2022-07-12 14:13:59 +02:00
Maarten L. Hekkelman
3745beae66 Fix search order for resources 2022-07-12 13:55:19 +02:00
Maarten L. Hekkelman
3965840bfa New way of locating resources 2022-07-12 13:49:02 +02:00
Maarten L. Hekkelman
a88c6f3d32 Fix for older clang (on MacOS?). 2022-07-05 11:07:12 +02:00
Maarten L. Hekkelman
ed6c6f0026 Move assignment of Structure is not possible due to reference to datablock 2022-07-05 09:46:59 +02:00
Maarten L. Hekkelman
bdda9d72b5 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2022-07-05 09:36:36 +02:00
Maarten L. Hekkelman
fd080e778e Changes for MacOS/MSVC 2022-07-05 09:36:26 +02:00
Maarten L. Hekkelman
9f72df2ecd Update LICENSE
Format changed, now recognized
2022-07-01 08:21:22 +02:00
ojcharles
617db012f0 Update Cif++.cpp (#15)
add mutex library for std::unique_lock, not included in std lib
2022-07-01 08:07:24 +02:00
Maarten L. Hekkelman
9d15541237 include cstring for gnu c++ 12 2022-06-22 08:53:05 +02:00
Maarten L. Hekkelman
35c99564c6 Fix importing sugars from PDB files 2022-06-01 15:17:54 +02:00
Maarten L. Hekkelman
1d8fe334d6 Fix writing sugar branches 2022-06-01 13:22:34 +02:00
Maarten L. Hekkelman
d86bb314ac Better handling of missing residues/mismatch seqres 2022-06-01 11:27:41 +02:00
Maarten L. Hekkelman
0ef8eb59f8 Fix scattering factors error 2022-05-18 13:04:42 +02:00
Maarten L. Hekkelman
b5fe4a9a87 locating resources that might be protected 2022-05-18 11:53:13 +02:00
Maarten L. Hekkelman
11fea31b98 more loading resources 2022-05-18 11:37:26 +02:00
Maarten L. Hekkelman
f629275ed5 locating resources that might be protected 2022-05-18 11:25:47 +02:00
Maarten L. Hekkelman
a5f6166469 locating resources that might be protected 2022-05-18 11:14:14 +02:00
Maarten L. Hekkelman
501050e591 Add move constructor to mmcif::Structure 2022-05-10 17:11:04 +02:00
Maarten L. Hekkelman
e1b240b2b2 sugar work 2022-05-04 16:48:28 +02:00
Maarten L. Hekkelman
3d79278ed7 Merge branch 'trunk' into develop 2022-05-04 09:51:15 +02:00
Maarten L. Hekkelman
5e0b197a43 mmcif::Atom::compound() revision 2022-05-04 09:50:24 +02:00
Maarten L. Hekkelman
9c4170d9e2 - Added more const members
- change PDB writing interface
2022-05-03 11:52:15 +02:00
Maarten L. Hekkelman
af721eb196 Make having no compound less fatal 2022-05-02 14:40:22 +02:00
Maarten L. Hekkelman
788e315f5e Fix entity_branch_link entry 2022-05-02 12:24:35 +02:00
Maarten L. Hekkelman
4a82a8d5a8 Fixed all tests 2022-05-02 11:09:36 +02:00
Maarten L. Hekkelman
11019a26f8 Merge branch 'sugar-tests' into develop 2022-05-02 10:03:44 +02:00
Maarten L. Hekkelman
6f8909dce9 Fixed tests 2022-05-02 10:01:10 +02:00
Maarten L. Hekkelman
5525103aaf backup 2022-05-02 09:26:59 +02:00
Maarten L. Hekkelman
291ef737b1 - Fix removing atoms
- Optimize isUnquotedString
2022-05-01 14:09:06 +02:00
Maarten L. Hekkelman
af125bdd57 backup 2022-04-26 16:04:13 +02:00
Maarten L. Hekkelman
79089bbb8c removed incorrect assert 2022-04-20 16:32:47 +02:00
Maarten L. Hekkelman
1f08498d00 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2022-04-20 11:18:50 +02:00
Maarten L. Hekkelman
49ba714a03 - structure id stuff
- added cif::null
- more tests
2022-04-20 11:17:11 +02:00
Maarten L. Hekkelman
85fd9296b2 Add test for loading 2022-04-19 17:03:09 +02:00
Maarten L. Hekkelman
1cda14867f More interface changes in mmcif::Structure 2022-04-19 13:40:38 +02:00
Maarten L. Hekkelman
2d2b26f7dc Fix regression in bondmap calculation 2022-04-19 09:10:54 +02:00
Maarten L. Hekkelman
93b33af44a oops, wrong field name 2022-04-13 10:57:50 +02:00
Maarten L. Hekkelman
eb80490bcd getPolymerByAsymID 2022-04-13 09:47:18 +02:00
Maarten L. Hekkelman
ba2b06f5af reduce complexity 2022-04-13 09:39:43 +02:00
Maarten L. Hekkelman
fecc762db1 - better link validation
- better output (quote reserved strings)
2022-04-12 17:00:47 +02:00
Maarten L. Hekkelman
1e406253ab loading unknown atoms 2022-04-12 12:41:25 +02:00
Maarten L. Hekkelman
6e3b85f43d getResidue, again 2022-04-11 16:36:40 +02:00
Maarten L. Hekkelman
58f1b626e2 change getResidue 2022-04-06 12:49:03 +02:00
Maarten L. Hekkelman
c104a08e16 fixed Atom::charge to pick more sensible default 2022-03-30 11:14:11 +02:00
Maarten L. Hekkelman
dd0f6ca1e6 accept more invalid characters, sigh 2022-03-29 11:45:33 +02:00
Maarten L. Hekkelman
f02ea91b51 label and auth seq id, some improvements 2022-03-28 09:50:37 +02:00
Maarten L. Hekkelman
6768a501a3 access to atoms 2022-03-21 09:58:16 +01:00
Maarten L. Hekkelman
879e15c759 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2022-03-14 16:28:55 +01:00
Maarten L. Hekkelman
89285b4abc construct quaternion from angle/axis 2022-03-14 16:28:41 +01:00
Maarten L. Hekkelman
c584714f91 ion radii 2022-03-09 15:40:32 +01:00
Maarten L. Hekkelman
f5016403b7 refactored mmcif::File 2022-03-02 15:26:29 +01:00
Maarten L. Hekkelman
c8f66ae6bb start remove residue 2022-02-23 08:24:26 +01:00
Maarten L. Hekkelman
858c967e71 Locate mmcif dictionary in CCP4 space 2022-02-15 08:08:01 +01:00
Maarten L. Hekkelman
f9ca5de5bf Add missing include for gcc 8.2 2022-02-09 16:04:24 +01:00
Maarten L. Hekkelman
252c3476a1 Slightly better handling of hetero residues 2022-02-09 14:53:05 +01:00
Maarten L. Hekkelman
19210df6db Fix parsing mmCIF files with an unquoted string ?? 2022-02-08 11:22:10 +01:00
Maarten L. Hekkelman
15c5730749 Remove redundant FindFilesystem include 2022-02-03 10:35:34 +01:00
Maarten L. Hekkelman
3764adb7ef update changelog 2022-02-02 13:44:32 +01:00
Maarten L. Hekkelman
9160adb1cf Merge branch 'develop' into trunk 2022-02-02 13:40:47 +01:00
Maarten L. Hekkelman
3ebf4338ab Do not crash on uninitialized Atoms 2022-02-02 12:41:32 +01:00
Maarten L. Hekkelman
2eb4b7b39b Fix building in Windows 2022-01-25 15:27:15 +01:00
Maarten L. Hekkelman
c241e49b48 fix makefile 2022-01-25 15:13:15 +01:00
Maarten L. Hekkelman
238c881132 Update dependencies, version string 2022-01-25 13:27:58 +01:00
Maarten L. Hekkelman
49dc733536 Create non poly from described atoms 2022-01-25 13:27:19 +01:00
Maarten L. Hekkelman
755bd78f60 Fix declaration for mmcif::Nudge 2022-01-19 13:21:29 +01:00
Maarten L. Hekkelman
77f80cd51f Fix atomic test (apparently, libatomic is only needed for std::atomic<long long>) 2022-01-19 08:25:25 +01:00
Maarten L. Hekkelman
3df6000635 cleaning up code 2022-01-18 16:06:28 +01:00
Maarten L. Hekkelman
5efee2b40d comment adjusted 2022-01-18 13:28:42 +01:00
Maarten L. Hekkelman
f3c2e59184 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2022-01-18 11:26:23 +01:00
Maarten L. Hekkelman
24ab660e6e Change logic for testing std::filesystem and libatomic 2022-01-18 11:24:31 +01:00
Maarten L. Hekkelman
6c0a418068 Revert "Check atomic"
This reverts commit 07a180991e.
2022-01-18 11:12:56 +01:00
Maarten L. Hekkelman
07a180991e Check atomic 2022-01-17 11:40:46 +01:00
Maarten L. Hekkelman
4732004b67 Merge branch 'develop' into trunk 2022-01-12 16:41:18 +01:00
Maarten L. Hekkelman
faa9cd0431 Added another rotate/translate method to mmcif::Structure 2022-01-12 14:06:32 +01:00
Maarten L. Hekkelman
e0c3c2394d Fix Structure::createNonPoly to add atoms... 2022-01-11 11:21:56 +01:00
Maarten L. Hekkelman
2dec584f54 clean up code 2022-01-05 15:54:23 +01:00
Maarten L. Hekkelman
5ab2ccae40 avoid calling cif::Category::size() too often 2022-01-05 15:45:27 +01:00
Maarten L. Hekkelman
1017d08626 skip updating links when changing atom location 2022-01-05 15:24:22 +01:00
Maarten L. Hekkelman
32b1bbd943 combine translate and rotate in a single call 2022-01-05 14:27:16 +01:00
Maarten L. Hekkelman
1abf31ffa5 no-validate option in cif::Row::assign 2022-01-05 14:04:28 +01:00
Maarten L. Hekkelman
aec60829d2 more quiet code 2022-01-05 11:29:10 +01:00
Maarten L. Hekkelman
888c3c38c2 Add a 'quiet' mode (cif::VERBOSE < 0) 2022-01-05 10:36:39 +01:00
Maarten L. Hekkelman
e2c4648037 clean up 2022-01-05 10:24:37 +01:00
Maarten L. Hekkelman
f7b98c0530 refactored AtomImpl 2022-01-05 10:23:15 +01:00
Maarten L. Hekkelman
d4bd3faa16 Merge branch 'profiling-structure' into trunk 2022-01-04 10:29:23 +01:00
Maarten L. Hekkelman
c4f3b1cd7b delay loading atoms in residues 2022-01-04 09:48:41 +01:00
Maarten L. Hekkelman
74add69a83 Finish removing bzip2 support 2022-01-03 15:51:01 +01:00
Maarten L. Hekkelman
a490b19d24 version bump 2022-01-03 15:45:48 +01:00
Maarten L. Hekkelman
44cfa2c1a2 further optimisation 2022-01-03 15:19:50 +01:00
Maarten L. Hekkelman
6dd9522b3f optimized mmcif::Atom 2022-01-03 14:32:42 +01:00
Maarten L. Hekkelman
5e352cb8e4 Removed erronous dependency in config.cmake.in 2021-12-20 13:33:06 +01:00
Maarten L. Hekkelman
2fad7315b8 make DSSP::iterator bidirectional 2021-12-15 15:12:23 +01:00
Maarten L. Hekkelman
520759dfe8 update changelog 2021-12-14 15:17:50 +01:00
Maarten L. Hekkelman
577b44ae11 Fix in processing CCP4 monomers, proline is a peptide 2021-12-14 15:16:23 +01:00
Maarten L. Hekkelman
66f742d6c0 code to facilitate DSSP 2021-12-14 15:14:45 +01:00
Maarten L. Hekkelman
7ba9f688c7 Merge branch 'develop' into trunk 2021-12-10 10:39:34 +01:00
Maarten L. Hekkelman
883f0307a2 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-12-10 10:38:43 +01:00
Maarten L. Hekkelman
c9719f873f Merge branch 'develop' into trunk 2021-12-10 10:37:04 +01:00
Maarten L. Hekkelman
123d25f853 formatting of floating points in cif files
better verbose info for differences
2021-12-10 10:35:02 +01:00
Maarten L. Hekkelman
56da42db84 formatting of floating points in cif files
better verbose info for differences
2021-12-10 10:32:21 +01:00
Maarten L. Hekkelman
7f820449ca formatting 2021-12-08 09:06:09 +01:00
Maarten L. Hekkelman
ecb2cf5f11 Fix for compiling with gcc 11.2 2021-12-08 09:03:21 +01:00
Maarten L. Hekkelman
7f27da9b3b Fixed rename-compound-test to work when not using resources 2021-11-25 16:27:45 +01:00
Maarten L. Hekkelman
01eb499c69 attempt to fix running tests in different directory 2021-11-25 16:27:42 +01:00
Maarten L. Hekkelman
1ff6f70682 changelog update 2021-11-25 16:25:53 +01:00
Maarten L. Hekkelman
ddde996e10 strip newlines from compound names read from CCD 2021-11-25 16:24:55 +01:00
Maarten L. Hekkelman
1c9212c7e0 Fixed rename-compound-test to work when not using resources 2021-11-25 16:09:15 +01:00
Maarten L. Hekkelman
a568143991 unneeded loading of resource removed from test 2021-11-24 13:52:23 +01:00
Maarten L. Hekkelman
2b6f1bd9ee attempt to fix running tests in different directory 2021-11-23 10:51:22 +01:00
Maarten L. Hekkelman
2527aa5ea6 correct version in cmakefile, fix structure-test to no longer load resource 2021-11-24 13:57:36 +01:00
Maarten L. Hekkelman
4c28091ecd Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-11-18 09:56:11 +01:00
Maarten L. Hekkelman
d49725423e re-added group to Compound. Seems to be important 2021-11-18 09:56:01 +01:00
Maarten L. Hekkelman
fcb4dc61b5 fixed writing PDB files (= remove to_upper for all header lines...) 2021-11-17 08:01:24 +01:00
Maarten L. Hekkelman
b7330c074f Fixed Structure::changeResidue to actually change the residue itself as well. 2021-11-16 08:38:14 +01:00
Maarten L. Hekkelman
e8f4123030 strip newlines from names in Compound 2021-11-15 12:37:45 +01:00
Maarten L. Hekkelman
975057c4c4 Fixed bug in structure::changeresidue when removing atoms 2021-11-15 11:32:50 +01:00
Maarten L. Hekkelman
a0e01668d1 take largest in value for best quaternion 2021-11-15 10:22:56 +01:00
Maarten L. Hekkelman
2c77491416 cleaner implementation of matrices 2021-11-12 10:36:38 +01:00
Maarten L. Hekkelman
be19e4a9cb Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-11-12 09:20:01 +01:00
Maarten L. Hekkelman
61ce91a9d7 using expression templates for matrices 2021-11-12 09:17:21 +01:00
Maarten L. Hekkelman
18f1d07e85 clean up code 2021-11-12 08:28:10 +01:00
Maarten L. Hekkelman
b596976194 correct implementation of alignpoints 2021-11-12 08:15:33 +01:00
Maarten L. Hekkelman
1f6b86d516 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-11-11 21:41:05 +01:00
Maarten L. Hekkelman
31499b977d Fix the 3d alignment code 2021-11-11 21:39:52 +01:00
Maarten L. Hekkelman
f83850e380 git and revisions 2021-11-11 09:42:22 +01:00
Maarten L. Hekkelman
1a4ccd86fe changelog update 2021-11-03 09:28:14 +01:00
Maarten L. Hekkelman
5c3c6fec09 strip newlines from compound names read from CCD 2021-10-29 10:48:09 +02:00
Maarten L. Hekkelman
f97e742daa removed a too strict test in loading structures 2021-10-21 08:42:42 +02:00
Maarten L. Hekkelman
7f39d401e2 Optimised assigning data 2021-10-20 14:55:30 +02:00
Maarten L. Hekkelman
af412c284d clean up 2021-10-20 12:27:27 +02:00
Maarten L. Hekkelman
874cd3bae5 Fix symmetry lookup 2021-10-20 11:36:31 +02:00
Maarten L. Hekkelman
ea28ebdd13 optimized caching of items in mmcif::Atom 2021-10-19 16:10:59 +02:00
Maarten L. Hekkelman
3ba468933f Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-10-18 17:17:20 +02:00
Maarten L. Hekkelman
45f33e4bea Merge branch 'trunk' into develop 2021-10-18 11:12:56 +02:00
Maarten L. Hekkelman
021487ed16 Fix reading mmCIF file where model is defined but model 1 is missing. Version bump. 2021-10-18 11:11:03 +02:00
Maarten L. Hekkelman
cb3443ffb1 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-10-18 09:42:30 +02:00
Maarten L. Hekkelman
6b2c9dc3e3 order of compound info, load CCD first 2021-10-18 09:40:33 +02:00
Maarten L. Hekkelman
7513cc1947 Merge branch 'trunk' into develop 2021-10-14 09:30:19 +02:00
Maarten L. Hekkelman
c98b8ae5c9 fix pkgconfig file
fix example for new interface
2021-10-13 14:25:19 +02:00
Maarten L. Hekkelman
ab2dd4b75f Merge branch 'trunk' into develop 2021-10-13 14:03:29 +02:00
Maarten L. Hekkelman
be77316545 Rename options to make them all start with CIFPP_
Add cmake options for CACHE_DIR and DATA_DIR
2021-10-13 14:01:42 +02:00
Maarten L. Hekkelman
cdfb0d9497 remove unused files 2021-10-13 12:30:44 +02:00
Maarten L. Hekkelman
71f7e7c741 Version bump, changelog updated 2021-10-13 11:51:12 +02:00
Maarten L. Hekkelman
cff099596e Fix installation rules for CCD data 2021-10-13 11:32:10 +02:00
Maarten L. Hekkelman
e182604455 Fix all tests to work with embedded data, no CCD, part 4 2021-10-13 11:23:17 +02:00
Maarten L. Hekkelman
45a7defb7e Fix all tests to work with embedded data, no CCD, part 3 2021-10-13 10:55:25 +02:00
Maarten L. Hekkelman
906f6ac1ea Fix all tests to work with embedded data, no CCD 2021-10-13 10:31:57 +02:00
Maarten L. Hekkelman
8d96e513bd rename update script 2021-10-13 09:55:02 +02:00
Maarten L. Hekkelman
cdefd063e2 Added small ccd subset for testing in absense of full CCD 2021-10-13 09:34:58 +02:00
Maarten L. Hekkelman
8bbcba76cf Performance increase by using std::string_view
Updated Structure::changeResidue
2021-10-12 16:04:27 +02:00
Maarten L. Hekkelman
c767e89a5d Fixed symmetry operator table generator 2021-10-06 12:57:18 +02:00
Maarten L. Hekkelman
b78a603dca run tests before installation 2021-10-05 11:49:54 +02:00
Maarten L. Hekkelman
18088457d3 last updates in develop 2021-09-29 14:21:41 +02:00
Maarten L. Hekkelman
056697d901 imported libname for stdc++fs 2021-09-29 13:24:16 +02:00
Maarten L. Hekkelman
2681cfad50 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-29 13:21:45 +02:00
Maarten L. Hekkelman
8aaa7925a3 fix lib name 2021-09-29 13:21:37 +02:00
Maarten L. Hekkelman
d4f73e471b No need to search zlib/bzip2 in Windows 2021-09-29 11:08:05 +02:00
Maarten L. Hekkelman
750be0c4a4 for 18.04 2021-09-28 15:26:15 +02:00
Maarten L. Hekkelman
0f4a2a26fc dependencies
check compiler version
2021-09-28 14:15:17 +02:00
Maarten L. Hekkelman
6adb56341d remove boost::date_time dependency 2021-09-28 12:48:15 +02:00
Maarten L. Hekkelman
4524357cd3 zlib, again (use the zlib from boost in Windows) 2021-09-28 11:20:02 +02:00
Maarten L. Hekkelman
0b05b6f6e3 run tests in build dir 2021-09-28 10:40:40 +02:00
Maarten L. Hekkelman
6382170157 zlib 2021-09-28 09:39:15 +02:00
Maarten L. Hekkelman
c2eeb69dcc optional static libs boost 2021-09-28 09:38:35 +02:00
Maarten L. Hekkelman
f32261fc59 revert zlib in boost 2021-09-28 09:37:42 +02:00
Maarten L. Hekkelman
90c967c8c6 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-28 09:30:56 +02:00
Maarten L. Hekkelman
4ac90128db zlib in boost 2021-09-28 09:30:43 +02:00
Maarten L. Hekkelman
3d71db1bb7 less stringent test for compiler version 2021-09-28 09:30:22 +02:00
Maarten L. Hekkelman
5e35ea5168 warnings and compiler detection 2021-09-28 09:17:28 +02:00
Maarten L. Hekkelman
2fc88d52eb Updating cmake file to install correct update mechanism 2021-09-28 08:50:28 +02:00
Maarten L. Hekkelman
567b0f3b57 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-28 07:57:05 +02:00
Maarten L. Hekkelman
8f29386998 fix file read test 2021-09-26 14:52:34 +02:00
Maarten L. Hekkelman
d2427d57d9 unit test for reading files 2021-09-27 11:36:24 +02:00
Maarten L. Hekkelman
14a9499962 fix cmake files, pkg-config file 2021-09-27 09:36:33 +02:00
Maarten L. Hekkelman
0fafb80d44 Remove bzip2 support 2021-09-27 08:40:05 +02:00
Maarten L. Hekkelman
b5454f0943 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-26 13:41:21 +02:00
Maarten L. Hekkelman
b698260d73 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into develop 2021-09-26 13:40:39 +02:00
Maarten L. Hekkelman
ccdd1b74a0 required 2021-09-26 13:39:49 +02:00
Maarten L. Hekkelman
298fe20a1b improve cmake files? 2021-09-25 12:05:42 +02:00
Maarten L. Hekkelman
12a7c45452 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-24 16:02:22 +02:00
Maarten L. Hekkelman
02a28c2fd6 clean up makefile 2021-09-24 16:01:48 +02:00
Maarten L. Hekkelman
68e182b0bd Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-24 15:31:31 +02:00
Maarten L. Hekkelman
b0ec88f469 link compression libs 2021-09-24 15:30:34 +02:00
Maarten L. Hekkelman
4feee6ac22 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-24 15:27:48 +02:00
Maarten L. Hekkelman
ee8a85ec2f static boost libs 2021-09-24 15:27:13 +02:00
Maarten L. Hekkelman
0245d4a881 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-24 15:24:42 +02:00
Maarten L. Hekkelman
e8f0058956 add link of stdc++fs 2021-09-24 15:24:30 +02:00
Maarten L. Hekkelman
9c75dbaae0 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-24 15:22:15 +02:00
Maarten L. Hekkelman
5bd39b598e Add filesystem check, with libstdc++fs test 2021-09-24 15:21:12 +02:00
Maarten L. Hekkelman
25a43abffd update version number, fix revision file 2021-09-24 14:06:47 +02:00
Maarten L. Hekkelman
9a7ca022e2 check for existence of run-parts to be more compatible 2021-09-21 08:56:22 +02:00
Maarten L. Hekkelman
46fe0d7caf fixed cmake file
reduced verbosity for missing atoms
update script, more cross platform
2021-09-21 08:52:48 +02:00
Maarten L. Hekkelman
0371cec415 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop 2021-09-21 08:40:25 +02:00
Maarten L. Hekkelman
2b1020cbb9 Merge branch 'trunk' into develop 2021-09-21 08:16:57 +02:00
Andrius Merkys
8c3ce2a87d Update OpenStructure compounds.chemlib if OpenStructure is found (#8)
* Update OpenStructure compounds.chemlib if OpenStructure is found.

* Replacing the code to update OpenStructure compounds.chemlib with a call to its internal script.

* Implementing more flexible approach allowing notifying all dependent software.
2021-09-20 12:39:15 +02:00
Maarten L. Hekkelman
d633622e27 Creating new nonpoly compounds 2021-09-20 11:34:07 +02:00
Maarten L. Hekkelman
19b652f615 Merge commit '37f7dd0' into develop 2021-09-15 16:06:43 +02:00
Maarten L. Hekkelman
37f7dd0631 load compound if needed 2021-09-15 16:04:49 +02:00
Maarten L. Hekkelman
4c99710fb3 Refactored iterators (Category, Row)
const versions of find
2021-09-15 11:38:12 +02:00
Maarten L. Hekkelman
59865cdb44 Rotate and Translate of structure data
update unit-test for create_nonpoly
2021-09-14 16:09:08 +02:00
Maarten L. Hekkelman
c3434507da new find1 2021-09-14 11:25:59 +02:00
Maarten L. Hekkelman
79ecf20b85 Sometimes extracting archives does not work in cmake 2021-09-10 09:24:06 +02:00
Maarten L. Hekkelman
1de9681bb7 revert mrc test
extended nonpoly unit-test
2021-09-10 09:22:37 +02:00
Maarten L. Hekkelman
345c4778e6 start structure-test unit test
added compare functions for Datablock and Category
2021-09-08 16:58:50 +02:00
Maarten L. Hekkelman
0ccb2f88ca Added more 3d code (alignpoints) 2021-09-08 11:44:27 +02:00
Maarten L. Hekkelman
f7bef8b0e9 update dictionary
do not throw from Category::isValid()
2021-09-07 14:50:06 +02:00
Maarten L. Hekkelman
9da8608f8f Merge branch 'cmake' into trunk
install update script (optionally, unix only)
2021-09-07 10:12:46 +02:00
Maarten L. Hekkelman
496cb0b909 last minute changes for building inside CCP4 2021-09-07 10:10:38 +02:00
Maarten L. Hekkelman
583cafa91e Merge branch 'cmake' of github.com:PDB-REDO/libcifpp into cmake 2021-09-07 09:23:02 +02:00
Maarten L. Hekkelman
01da665243 test nieuwe CCP4 regels 2021-09-07 09:15:47 +02:00
Maarten L. Hekkelman
e900cd1e3d Windows 2021-09-06 14:58:47 +02:00
Maarten L. Hekkelman
a8a838b33e extract using gzip for cmake < 3.19 (?) 2021-09-02 08:43:12 +02:00
Maarten L. Hekkelman
072be25335 install update script 2021-09-01 16:53:05 +02:00
Maarten L. Hekkelman
5f50429cdb last minute changes to cmake files 2021-08-31 15:53:29 +02:00
Maarten L. Hekkelman
db3fb04172 Merged cmake changes
Updated version to 1.1.1
2021-08-31 15:50:36 +02:00
Maarten L. Hekkelman
839385c3fb update readme 2021-08-31 15:45:01 +02:00
Maarten L. Hekkelman
d508b7b2df updated changelog 2021-08-31 15:43:43 +02:00
Maarten L. Hekkelman
b1456b87c0 Updated readme 2021-08-31 14:27:51 +02:00
Maarten L. Hekkelman
58d2dcaef2 fix weak linking in Linux (when resources are not available) 2021-08-31 13:56:04 +02:00
Maarten L. Hekkelman
a9468d1cbb Fix test in cmake file 2021-08-31 12:49:52 +02:00
Maarten L. Hekkelman
a29e3e8da3 create symop table 2021-08-30 12:06:36 +02:00
Maarten L. Hekkelman
dd5df1bb2a debug code: print atom id 2021-08-25 13:08:15 +02:00
Maarten L. Hekkelman
d5d6f3a7b3 Merge branch 'newer-cmake-files' of github.com:PDB-REDO/libcifpp into newer-cmake-files 2021-08-24 12:50:26 +02:00
Maarten L. Hekkelman
9d2f2b3026 pkgconfig support 2021-08-24 12:50:20 +02:00
Maarten L. Hekkelman
74717a3047 Do not bail out in bondmap creation if compound is unknown 2021-08-24 10:52:18 +02:00
Maarten L. Hekkelman
c13ee92f1e on windows 2021-08-23 17:20:45 +02:00
Maarten L. Hekkelman
0ca04bed4f Updated cmake file, configurable data dir 2021-08-23 17:00:49 +02:00
Maarten L. Hekkelman
89850de660 export symbols in windows 2021-08-18 21:21:14 +02:00
Maarten L. Hekkelman
8bb4ebd897 update cmake rules 2021-08-18 16:31:44 +02:00
Maarten L. Hekkelman
6a67208d24 date in revision file 2021-08-18 15:19:41 +02:00
Maarten L. Hekkelman
139f32c3e8 correct dependency for tests 2021-08-18 14:29:40 +02:00
Maarten L. Hekkelman
81c0d01944 Cleaning up all warnings in MSVC 2021-08-18 14:12:56 +02:00
Maarten L. Hekkelman
1d2f997efb export stuff 2021-08-18 09:53:46 +02:00
Maarten L. Hekkelman
f126b1dac3 include boost libs 2021-08-17 14:35:51 +02:00
Maarten L. Hekkelman
bbc38262ce setting up tests in cmake 2021-08-17 14:11:19 +02:00
Maarten L. Hekkelman
caeafd3189 clean up 2021-08-17 13:43:01 +02:00
Maarten L. Hekkelman
98e3c47cdf remove configure 2021-08-17 13:38:32 +02:00
Maarten L. Hekkelman
390b230cac generate version string with cmake 2021-08-17 13:30:38 +02:00
Maarten L. Hekkelman
c5c3950c91 revision, first attempt 2021-08-17 11:33:22 +02:00
Maarten L. Hekkelman
2aea0b3b1f resources in Windows 2021-08-13 11:38:48 +02:00
Maarten L. Hekkelman
6b16e02b34 clean up warning on Windows, start using resources on Windows 2021-08-12 12:01:48 +02:00
Maarten L. Hekkelman
bb2f81318a Newer CMakeLists.txt file, now creating more correct config files. 2021-08-10 16:21:02 +02:00
Maarten L. Hekkelman
ec91d0fb22 fix test isWater in Residue when mCompound is null 2021-08-10 11:23:56 +02:00
Maarten L. Hekkelman
760e23693e remove suprious error messages,
fix getUniqueID to use correct key field
2021-08-09 15:11:18 +02:00
Maarten L. Hekkelman
cfba00ae46 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-08-09 10:01:20 +02:00
Maarten L. Hekkelman
dc1cfb60ff Fix reading AlphaFold files (missing auth_seq_id error) 2021-08-09 10:00:50 +02:00
Maarten L. Hekkelman
92148304ee Safer CompoundFactoryImpl 2021-07-12 11:25:39 +02:00
Maarten L. Hekkelman
9329c0c0f6 optimisation of creating compound 2021-07-12 10:51:52 +02:00
Maarten L. Hekkelman
de3ac001fc added import statement for Windows DLL 2021-07-07 13:06:43 +02:00
Maarten L. Hekkelman
b1047154a4 missing include, export symbols on Windows 2021-06-29 10:39:47 +02:00
Maarten L. Hekkelman
c361af3792 z and bz2 finding, component.cif download 2021-05-26 14:59:59 +02:00
Maarten L. Hekkelman
73487fc24b updated for windows 2021-05-25 15:51:37 +02:00
Maarten L. Hekkelman
73513fd700 cmake file, now working on windows 2021-05-25 15:25:39 +02:00
Maarten L. Hekkelman
6b7723eb2a cmake file can now build unit-test 2021-05-25 09:42:21 +02:00
Maarten L. Hekkelman
7056c15366 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-05-21 09:25:34 +02:00
Maarten L. Hekkelman
8539e050ae add code to load default components.cif file 2021-05-21 09:25:20 +02:00
Maarten L. Hekkelman
5d4c2641f6 fix cmake file, now creates unit-test 2021-05-19 15:37:07 +02:00
Maarten L. Hekkelman
bc32071576 fix cmake file 2021-05-18 15:36:46 +02:00
Maarten L. Hekkelman
3b2c57314f initial cmake file 2021-05-18 13:54:03 +02:00
Maarten L. Hekkelman
36351a0608 fix for libc++, not using in_avail anymore 2021-05-17 10:38:06 +02:00
Maarten L. Hekkelman
047b454c1d disable download ccd in configure, for travis 2021-04-28 16:49:14 +02:00
Maarten L. Hekkelman
3f5e620102 loading compound info, finished with error checking and verbose mode 2021-04-28 16:18:08 +02:00
Maarten L. Hekkelman
851a43ba4b Alternative layering of compound factory object implementations 2021-04-26 16:52:18 +02:00
Maarten L. Hekkelman
47ae50f704 only load compound when really needed 2021-04-26 13:16:58 +02:00
Maarten L. Hekkelman
33bdd6ae82 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-04-21 16:03:07 +02:00
Maarten L. Hekkelman
433021727e count molecules 2021-04-21 16:02:22 +02:00
Maarten L. Hekkelman
7f23c84287 clean-up 2021-04-21 15:36:46 +02:00
Maarten L. Hekkelman
74bd2585e7 renaming, nonpoly_scheme 2021-04-21 14:41:06 +02:00
Maarten L. Hekkelman
ebb27638ff renaming compound code... 2021-04-21 14:20:36 +02:00
Maarten L. Hekkelman
3eb7e4c5bf Potential fix 2021-04-21 11:38:36 +02:00
Maarten L. Hekkelman
112f859b19 ms windows work 2021-04-21 08:32:10 +02:00
Maarten L. Hekkelman
fd08678ff6 backup 2021-04-20 17:18:15 +02:00
Maarten L. Hekkelman
2e2fc11fe1 renaming, first steps 2021-04-20 13:33:56 +02:00
Maarten L. Hekkelman
d44ed57cf9 load correct dictionary 2021-04-20 13:30:08 +02:00
Maarten L. Hekkelman
aa31acb056 no atomic? 2021-04-15 09:26:45 +02:00
Maarten L. Hekkelman
232003cb2e added sample PDB file 2021-04-14 17:31:30 +02:00
Maarten L. Hekkelman
db21dd1659 fix making, testing 2021-04-14 17:15:02 +02:00
Maarten L. Hekkelman
2f3279a5ff stand alone, write complete update scripts and config 2021-04-14 17:03:00 +02:00
Maarten L. Hekkelman
ab21317156 at least some tests should now work 2021-04-14 16:25:08 +02:00
Maarten L. Hekkelman
43cb312225 addFileResource added 2021-04-14 16:02:22 +02:00
Maarten L. Hekkelman
ce28cb7a48 Moved BondMap from libpdb-redo to libcifpp 2021-04-14 14:55:55 +02:00
Maarten L. Hekkelman
1e47fa557c indexed CCD file 2021-04-14 11:32:03 +02:00
Maarten L. Hekkelman
1ae3cf7b99 moving towards using CCD, parsing single datablock 2021-04-14 10:59:58 +02:00
Maarten L. Hekkelman
915d6504a2 First steps, remove CCP4 info from compound 2021-04-13 16:39:03 +02:00
Maarten L. Hekkelman
5e63ca7a82 Check for zlib/bzip2 linking 2021-04-13 14:13:25 +02:00
Maarten L. Hekkelman
e0777e74c2 minor updates 2021-04-08 09:26:10 +02:00
Maarten L. Hekkelman
cf465134fd fixing linux again 2021-03-10 16:46:10 +01:00
Maarten L. Hekkelman
873ac70d18 Build with MSVC 2021-03-10 14:10:25 +01:00
Maarten L. Hekkelman
9ca3c50c83 Build with MSVC 2021-03-10 14:10:02 +01:00
Maarten L. Hekkelman
cc1c7c39b1 do not build pdb2cif test for now 2021-03-10 10:37:45 +01:00
Maarten L. Hekkelman
2c6222984d link distance calculation 2021-03-10 08:46:14 +01:00
Maarten L. Hekkelman
58d7e17165 Add Anomalous remark 3 fields for phenix 2021-03-09 11:50:46 +01:00
Maarten L. Hekkelman
57618095bf fix LINK record (length position) 2021-03-09 09:09:33 +01:00
Maarten L. Hekkelman
492a1ad8ec LINK distance 2021-03-08 18:55:54 +01:00
Maarten L. Hekkelman
71da0ce345 fix in fixing distance for LINK records 2021-03-08 16:56:11 +01:00
Maarten L. Hekkelman
7dc574b534 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-03-05 11:50:53 +01:00
Maarten L. Hekkelman
ff8a7a1bfd for g++-11 2021-03-05 11:50:08 +01:00
Maarten L. Hekkelman
0f963eeab1 @travis 2021-02-22 19:22:45 +01:00
Maarten L. Hekkelman
8f02665e6d symop table generator, now requires output argument 2021-02-22 17:13:50 +01:00
Maarten L. Hekkelman
8604c3ab03 merged 2021-02-22 15:23:51 +01:00
Maarten L. Hekkelman
7a61129388 refactor configure 2021-02-22 15:21:47 +01:00
Maarten L. Hekkelman
516db3d8be for travis 2021-02-20 19:40:07 +01:00
Maarten L. Hekkelman
34bdc5056a fix parsing PDB files containing carriage returns 2021-02-20 19:23:14 +01:00
Maarten L. Hekkelman
9402fd5cf3 boost flags order 2021-02-17 20:54:27 +01:00
Maarten L. Hekkelman
a6faa5ce0c fix libcifpp.pc, ax_pkg_require is not implemented in this configure yet 2021-02-17 19:44:02 +01:00
Maarten L. Hekkelman
5735a70e47 using resources... 2021-02-17 15:27:05 +01:00
Maarten L. Hekkelman
8f997658d7 update configure to configure data directories 2021-02-17 11:28:50 +01:00
Maarten L. Hekkelman
5069316326 When converting pdb to cif, calculate distance for LINKR records 2021-02-16 09:55:54 +01:00
Maarten L. Hekkelman
143f17fb2a reorganize resources 2021-02-10 13:55:40 +01:00
Maarten L. Hekkelman
900d7fa07a moved dictionaries 2021-02-10 13:28:33 +01:00
Maarten L. Hekkelman
a4389542fd pic 2021-02-10 10:42:49 +01:00
Maarten L. Hekkelman
b7f4e40917 ouch... wrong type in verbose output generation 2021-02-09 16:37:21 +01:00
Maarten L. Hekkelman
a0447ba91c implemented missing function cif::Category::find1 2021-02-08 16:24:02 +01:00
Maarten L. Hekkelman
17c9d208ad revert back to boost::regex for validator since gnu std::regex implementation is recursive without proper checks... 2021-01-25 16:51:12 +01:00
Maarten L. Hekkelman
e89311fcff init compound factory in absence of CLIBD_MON 2021-01-18 14:25:27 +01:00
Maarten L. Hekkelman
bab750fa6c USE_RSRC is really needed 2021-01-12 11:33:39 +01:00
Maarten L. Hekkelman
0caaf23767 Thread local compound factory, for servers that manipulate the factory. 2021-01-12 09:37:38 +01:00
Maarten L. Hekkelman
c5676f1dfb accept compressed raw data in mmcif::File constructor 2021-01-12 09:36:43 +01:00
Maarten L. Hekkelman
86854581f8 Add contructor loading raw data to mmcif::File 2021-01-11 16:37:18 +01:00
Maarten L. Hekkelman
ef81944826 fix hang in pdb parsing with single line file 2021-01-11 16:36:30 +01:00
Maarten L. Hekkelman
b3b53ebcc0 travis job with clang 2021-01-11 13:19:52 +01:00
Maarten L. Hekkelman
3bc0384100 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-01-11 13:01:28 +01:00
Maarten L. Hekkelman
24b1c2ae58 remove Config.hpp from list of files to install 2021-01-11 13:01:20 +01:00
Maarten L. Hekkelman
c996bfcfaf added pthread flags 2021-01-11 13:00:06 +01:00
Maarten L. Hekkelman
3814635aa0 shared libraries, disable by default. Not my favourite, but hey, we need to build on MacOS as well... 2021-01-11 11:54:40 +01:00
Maarten L. Hekkelman
2b6c09cfad shared libraries, default action again 2021-01-11 11:19:34 +01:00
Maarten L. Hekkelman
9ee474081e search data_dir as well as cache_dir, for MacOS 2021-01-11 10:38:51 +01:00
Maarten L. Hekkelman
5bab298f74 search data_dir as well as cache_dir, for MacOS 2021-01-11 10:31:57 +01:00
Maarten L. Hekkelman
fd42b7f443 search data_dir as well as cache_dir, for MacOS 2021-01-11 10:28:49 +01:00
Maarten L. Hekkelman
edcea220f6 search data_dir as well as cache_dir, for MacOS 2021-01-11 10:12:14 +01:00
Maarten L. Hekkelman
a92e85f8db config.h file 2021-01-11 09:12:23 +01:00
Maarten L. Hekkelman
6fbe8bb192 refactored config file, avoid clashes in defines by autoconf 2021-01-11 08:54:49 +01:00
Maarten L. Hekkelman
5f45fd9b5b revert writing SOURCE_DATE_EPOCH since that is a Debian thing 2021-01-06 14:54:38 +01:00
Maarten L. Hekkelman
46925331c7 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2021-01-06 13:04:06 +01:00
Maarten L. Hekkelman
84123df996 changes from Debian included 2021-01-06 13:03:52 +01:00
drlemmus
641b446195 Update update-dictionary-script
Updated URL for the mmcif dictionary download to HTTPS.
2021-01-06 08:53:54 +01:00
Maarten L. Hekkelman
34bbf06793 update config.hpp.in, fix update script to write correct filename 2020-12-17 08:49:39 +01:00
Maarten L. Hekkelman
53a88e236b check for libatomic in configure 2020-12-16 08:51:03 +01:00
Maarten L. Hekkelman
c2069a12b4 stupid typo 2020-12-15 20:24:31 +01:00
Maarten L. Hekkelman
791ab245ca Fix makefile for renamed script 2020-12-15 19:15:00 +01:00
Maarten L. Hekkelman
43287736bb Revert renaming update script 2020-12-15 16:46:09 +01:00
Maarten L. Hekkelman
34ee3321d8 update makefile, to match debian 2020-12-15 16:37:53 +01:00
Maarten L. Hekkelman
6e433ae784 fix makefile for new configure script 2020-12-15 16:16:04 +01:00
Maarten L. Hekkelman
cd370275da Fix for 32-bit architectures 2020-12-15 15:47:41 +01:00
Maarten L. Hekkelman
7ed0f4c8ae clean up configure script 2020-12-02 15:21:17 +01:00
Maarten L. Hekkelman
ea7d8ce766 do not install the cron job by default 2020-11-19 16:27:21 +01:00
Maarten L. Hekkelman
f12e877251 for travis 2020-11-19 14:19:47 +01:00
Maarten L. Hekkelman
57ce90ce7c for travis 2020-11-19 14:18:54 +01:00
Maarten L. Hekkelman
b61321e360 for travis 2020-11-19 14:11:13 +01:00
Maarten L. Hekkelman
6416056958 disable resources on macOS 2020-11-19 13:39:14 +01:00
Maarten L. Hekkelman
4fdfd03c04 update clean target 2020-11-19 12:35:17 +01:00
Maarten L. Hekkelman
a1d2438341 and this one too 2020-11-19 12:27:53 +01:00
Maarten L. Hekkelman
952aa15d6e Fixed the --enable-revision argument for configure 2020-11-19 12:15:52 +01:00
Maarten L. Hekkelman
b3e45eb0b6 typo 2020-11-19 12:06:49 +01:00
Maarten L. Hekkelman
a548b39677 revision writing 2020-11-18 16:51:16 +01:00
Maarten L. Hekkelman
d5d96c58e4 resource loading 2020-11-18 08:35:23 +01:00
Maarten L. Hekkelman
9b61a06ef1 Revert "Update .travis.yml"
This reverts commit 7dc999ef39.
2020-11-17 19:24:40 +01:00
Maarten L. Hekkelman
3dbf19ac0b added #include <array> to fix building on FreeBSD 2020-11-17 19:19:54 +01:00
Maarten L. Hekkelman
7dc999ef39 Update .travis.yml
Seems the compiler on macOS is a bit out of date?
2020-11-17 16:06:24 +01:00
Maarten L. Hekkelman
697028b706 - remove mrc usage entirely
- added example as a simple test case
2020-11-17 15:48:59 +01:00
Maarten L. Hekkelman
c260fccdb5 versioning 2020-11-17 12:55:04 +01:00
Maarten L. Hekkelman
d9bf7c941b more fixes for rename 2020-11-17 11:32:32 +01:00
Maarten L. Hekkelman
af64151c60 rename libcif++ to libcifpp 2020-11-17 11:27:40 +01:00
Maarten L. Hekkelman
da94d65c6b prepare for 1.0.0 release 2020-11-17 10:33:25 +01:00
Maarten L. Hekkelman
d51340000f - fix new row iterators
- Residue constructor for sugars
2020-11-10 09:09:02 +01:00
Maarten L. Hekkelman
6f93fa3758 new conditional iterator type 2020-11-04 15:02:58 +01:00
Maarten L. Hekkelman
598f953cc1 writing sugar trees 2020-11-04 09:15:03 +01:00
Maarten L. Hekkelman
c39304281d sugar tree work in pdb2cif 2020-11-02 15:25:39 +01:00
Maarten L. Hekkelman
5e5e5c21ed sugar support, start 2020-11-02 08:47:07 +01:00
Maarten L. Hekkelman
299e270594 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-11-02 08:45:35 +01:00
Maarten L. Hekkelman
bd8a4e3639 new pdbx dictionary, clean up 2020-10-30 19:45:56 +01:00
Maarten L. Hekkelman
b3b5d05bfc boost is already installed at travis-ci 2020-10-27 14:30:09 +01:00
Maarten L. Hekkelman
268cefcb51 formal charge format in PDB fix 2020-10-27 10:44:55 +01:00
Maarten L. Hekkelman
f4e860bc2c iterate children, set property of atom 2020-10-27 09:19:24 +01:00
Maarten L. Hekkelman
b65aa46daa better symop table 2020-10-21 08:38:14 +02:00
Maarten L. Hekkelman
faef95a84d new layout of symop table to work around compiler alignment issues 2020-10-19 16:29:41 +02:00
Maarten L. Hekkelman
25dfdd2ff6 - alternates handling
- getResidue in structure
2020-10-14 15:46:16 +02:00
Maarten L. Hekkelman
88879a5de9 for usage with clipper 2020-10-13 15:56:34 +02:00
Maarten L. Hekkelman
52919f96a7 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-10-07 10:56:10 +02:00
Maarten L. Hekkelman
402505098a Work around limitation in travis-ci 2020-10-07 10:55:55 +02:00
Maarten L. Hekkelman
e8d8b8be60 do check makefile 2020-10-07 10:28:27 +02:00
Maarten Hekkelman
5ff7d01bd2 added missing #include <iomanip> 2020-10-07 10:20:33 +02:00
Maarten L. Hekkelman
3f8849680b export version number of lib 2020-10-07 10:00:26 +02:00
Maarten L. Hekkelman
e450fee020 Fixed processing links 2020-10-07 09:34:12 +02:00
Maarten L. Hekkelman
d7c162c71c links fixed, again 2020-10-06 16:55:53 +02:00
Maarten L. Hekkelman
f211fa4b5e oops 2020-10-06 16:51:05 +02:00
Maarten L. Hekkelman
c3963bc453 Fixed linked update (regression) 2020-10-06 16:32:36 +02:00
Maarten L. Hekkelman
23bd51ac9c removed ItemReference operator<< 2020-10-05 15:49:26 +02:00
Maarten L. Hekkelman
9e200b947e better check for filesystem 2020-10-05 13:48:00 +02:00
Maarten L. Hekkelman
2e661d5ff4 fixed compare 2020-10-05 13:23:28 +02:00
Maarten L. Hekkelman
766d5a4d7e case insensitve match, when defined by dictionary 2020-10-05 11:25:39 +02:00
Maarten L. Hekkelman
1f24937e65 simplify condtion code. 2020-10-05 10:38:01 +02:00
Maarten L. Hekkelman
aba35c3440 fix writing HETSYN records in PDB 2020-10-05 09:00:26 +02:00
Maarten L. Hekkelman
3a8fd0ebb1 remove requirement of a full CCP4 installation at runtime 2020-09-29 09:45:21 +02:00
Maarten L. Hekkelman
69a2d53277 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-09-28 16:42:24 +02:00
Maarten L. Hekkelman
0b66d67ef3 fixing git repository 2020-09-28 16:42:00 +02:00
Maarten L. Hekkelman
1f22326db6 global replace is evil and should be forbidden 2020-09-28 16:23:47 +02:00
Maarten L. Hekkelman
b4dfdb5515 Revert "Work around dropped categories _pdbx_item_linked_group_list and _pdbx_item_linked_group"
This reverts commit 71a46cd10e.
2020-09-28 16:23:22 +02:00
Maarten L. Hekkelman
25512340c8 Revert "Work around dropped categories _pdbx_item_linked_group_list and _pdbx_item_linked_group"
This reverts commit 71a46cd10e.
2020-09-28 15:35:35 +02:00
Maarten L. Hekkelman
d2d322ba30 unit test 2020-09-28 13:22:55 +02:00
Maarten L. Hekkelman
96a26eae4a Added a unit test 2020-09-28 11:48:56 +02:00
Maarten L. Hekkelman
71a46cd10e Work around dropped categories _pdbx_item_linked_group_list and _pdbx_item_linked_group 2020-09-28 10:50:50 +02:00
Maarten L. Hekkelman
013af6af46 update debian files 2020-09-28 09:49:50 +02:00
Maarten L. Hekkelman
1d79a9e915 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-09-28 09:03:27 +02:00
Maarten L. Hekkelman
28b4deaf32 added debian files 2020-09-28 09:01:55 +02:00
Maarten L. Hekkelman
694d93f50b Update README.md 2020-09-27 14:00:54 +02:00
Maarten L. Hekkelman
8fed9a1302 Remove version resource building
update gitignore
2020-09-27 13:51:29 +02:00
Maarten L. Hekkelman
4fa2d84374 add travis file 2020-09-27 13:25:07 +02:00
Maarten L. Hekkelman
0e43b81c34 remove boost::regex
add boost::iostreams to libs, for test
2020-09-27 13:24:04 +02:00
Maarten L. Hekkelman
eaf38e6353 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-09-27 13:15:16 +02:00
Maarten L. Hekkelman
4012a71f6c Added travis ci file 2020-09-27 13:14:48 +02:00
Maarten L. Hekkelman
5a71dbecdc compatibility with libstdc++ (LLVM) and BSD install 2020-09-26 11:38:28 +02:00
Maarten L. Hekkelman
6675768ab4 reduce requirements for c++ compliance 2020-09-23 20:39:44 +02:00
Maarten L. Hekkelman
63256f09ad better test of compiler capabilities 2020-09-23 20:22:48 +02:00
Maarten L. Hekkelman
be54866ca4 install rules 2020-09-23 16:32:47 +02:00
Maarten L. Hekkelman
7329009fff install rules 2020-09-23 16:14:36 +02:00
Maarten L. Hekkelman
bb5d72a40e remove dependency on boost::timer 2020-09-23 14:44:05 +02:00
Maarten L. Hekkelman
85d68b93eb only build symop table if CCP4 is found 2020-09-23 14:12:25 +02:00
Maarten L. Hekkelman
360d970033 only build symop table if CCP4 is found 2020-09-23 14:10:40 +02:00
Maarten L. Hekkelman
87d87fe5b0 check configure? not always 2020-09-23 13:59:24 +02:00
Maarten L. Hekkelman
bdfde18728 libtool and install, part 3 2020-09-23 13:49:54 +02:00
Maarten L. Hekkelman
1d0b2b8c6e for libtool, part 2 2020-09-23 13:46:00 +02:00
Maarten L. Hekkelman
7e91ae334f for libtool 2020-09-23 13:40:30 +02:00
Maarten L. Hekkelman
515d16fe79 update for configure 2020-09-23 13:34:28 +02:00
Maarten L. Hekkelman
896a8ebbdc Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2020-09-23 13:32:41 +02:00
Maarten L. Hekkelman
ae23938aa4 with pre-created configure script 2020-09-23 13:31:30 +02:00
Maarten L. Hekkelman
4db05c20ae removed wrong files 2020-09-23 13:30:54 +02:00
Maarten L. Hekkelman
8bb0663313 added license file 2020-09-22 16:11:16 +02:00
Maarten L. Hekkelman
83b2c651f1 prune configure script 2020-09-22 15:56:46 +02:00
Maarten L. Hekkelman
e65a782f45 readme updated 2020-09-22 15:49:15 +02:00
Maarten L. Hekkelman
43f418ae67 remove fixdmc 2020-09-22 15:27:40 +02:00
Maarten L. Hekkelman
4b4757ee74 removed using namespace std; 2020-09-22 15:26:37 +02:00
Maarten L. Hekkelman
ac088dd0a4 Added a copy of the generated symop table 2020-09-22 14:09:13 +02:00
Maarten L. Hekkelman
31c86d9c8a stripped to remove dependency on clipper and CCP4 2020-09-22 14:04:22 +02:00
Maarten L. Hekkelman
85b08f9d77 Added license
clean up of code
2020-09-22 09:35:56 +02:00
Maarten L. Hekkelman
d50529c6b9 refactored cif::Key to work around weird g++ behaviour 2020-09-21 15:23:17 +02:00
Maarten L. Hekkelman
bb9d81616b alternative for find 2020-09-21 13:45:15 +02:00
Maarten L. Hekkelman
024607002e lower required boost version 2020-09-21 13:42:24 +02:00
Maarten L. Hekkelman
31ce161543 changed RowSet and added conditional_iterator for category 2020-09-09 13:00:41 +02:00
Maarten L. Hekkelman
359538e170 resources, fix progress' implementations move to std::thread 2020-09-08 16:27:31 +02:00
Maarten L. Hekkelman
d45ce5060d Merge branch 'oeps' into trunk 2020-09-08 11:35:53 +02:00
Maarten L. Hekkelman
6aebf8408f fix 2020-09-08 11:20:49 +02:00
Maarten L. Hekkelman
5ce8d87b19 add debug flag 2020-09-08 11:15:36 +02:00
Maarten L. Hekkelman
f815b8588a accept missing SS bonds 2020-09-08 10:55:29 +02:00
Maarten L. Hekkelman
e812e2e092 Merge branch 'trunk' of gitlab.rhpc.nki.nl:PDB_REDO/libcifpp into trunk 2020-09-02 15:54:59 +02:00
Maarten L. Hekkelman
43eda65dd8 WIP on trunk: 7c5bf01 calculate surface only when needed, added deuterium 2020-09-02 15:53:11 +02:00
Maarten L. Hekkelman
3a94384775 index on trunk: 7c5bf01 calculate surface only when needed, added deuterium 2020-09-02 15:53:11 +02:00
Maarten L. Hekkelman
7c5bf01090 calculate surface only when needed, added deuterium 2020-09-02 15:52:55 +02:00
Maarten L. Hekkelman
3f421f34a2 calculate surface only when needed 2020-09-02 15:50:15 +02:00
Maarten L. Hekkelman
c7f67525ec less verbose 2020-09-02 13:51:40 +02:00
Maarten L. Hekkelman
71a78813e1 Merge branch 'trunk' of gitlab.rhpc.nki.nl:PDB_REDO/libcifpp into trunk 2020-09-02 13:47:07 +02:00
Maarten L. Hekkelman
62face74ee catch when another thread is still running 2020-09-02 13:45:21 +02:00
Maarten L. Hekkelman
1cbfbd8f4f include cmath 2020-08-31 15:48:33 +02:00
Maarten L. Hekkelman
3928be4939 added empty() to DSSP 2020-08-24 14:22:47 +02:00
Maarten L. Hekkelman
a967154625 PP helix assignment 2020-08-24 11:36:58 +02:00
Maarten L. Hekkelman
78dd9a3c02 for PPII helices 2020-08-11 09:56:14 +02:00
Maarten L. Hekkelman
52d6b2eace pp helices, a start 2020-08-10 13:32:07 +02:00
Maarten L. Hekkelman
2ef9e6b843 version string 2020-08-04 11:02:16 +02:00
Maarten L. Hekkelman
48d9d22d70 version tracking 2020-08-03 22:05:32 +02:00
Maarten L. Hekkelman
a3d9bc01a0 UNK should have ATOMS and not HETATOMS... 2020-08-03 17:02:12 +02:00
Maarten L. Hekkelman
52ea0bc7fc added resource to lib 2020-08-03 13:18:32 +02:00
Maarten L. Hekkelman
ba804abb34 auto init rsrc loader 2020-08-03 13:18:06 +02:00
Maarten L. Hekkelman
6835a9808b changes for secondary structure calculations 2020-07-07 11:26:55 +02:00
Maarten L. Hekkelman
77fc4080c5 dssp work 2020-07-01 16:22:06 +02:00
Maarten L. Hekkelman
599d0cb537 Several fixes in DSSP code 2020-07-01 11:52:45 +02:00
Maarten L. Hekkelman
59a7ff68e0 - renaming header files
- atomByID now returns an empty atom
- operator bool for Atom
2020-07-01 08:49:54 +02:00
Maarten L. Hekkelman
80bb24f347 - changed Id to ID in all code
- change ItemReference::as to work with std::optional as well
- changed some DSSP related code
2020-06-30 13:05:36 +02:00
Maarten L. Hekkelman
34c7fd3f54 Changes for DSSP 2020-06-24 17:07:38 +02:00
Maarten L. Hekkelman
fac1eb915a support exporting pdb header lines 2020-06-23 10:50:02 +02:00
Maarten L. Hekkelman
3a84a8e6e8 typo fixed 2020-06-22 17:30:16 +02:00
Maarten L. Hekkelman
dd02b3633d externalize resources 2020-06-22 17:11:32 +02:00
Maarten L. Hekkelman
54728d49be replacing boost libraries with standard version, where possible 2020-06-22 13:05:49 +02:00
Maarten L. Hekkelman
2afddc23ff .pc file added 2020-06-22 09:58:08 +02:00
Maarten L. Hekkelman
700c1d408d clean and distclean 2020-06-17 15:54:31 +02:00
Maarten L. Hekkelman
e3297d0de6 with boost test, should be improved I'm afraid 2020-06-17 15:47:59 +02:00
Maarten L. Hekkelman
e4ced4caef configure work 2020-06-16 09:42:24 +02:00
Maarten L. Hekkelman
14e32bed28 new tribool rules? 2020-06-15 16:27:39 +02:00
Maarten L. Hekkelman
a3cf3343c9 configure script 2020-06-15 16:01:48 +02:00
maarten
188fa4e59c fixed crash definitively
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@525 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-03-10 14:09:59 +00:00
maarten
d053492a7c No longer crashing on rowset/find
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@523 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-03-10 10:31:05 +00:00
maarten
8d9f4f007b fix prepper (mmcif naming...)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@521 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-03-09 08:16:00 +00:00
maarten
5084e7185a fix rama-angles (in fact, support X as atom type)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@519 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-03-02 13:20:55 +00:00
maarten
11b4c1d399 small changes in prepper
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@518 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-02-18 07:55:55 +00:00
maarten
a56b6b136d prepper met HEM/HEC
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@517 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-02-17 11:09:33 +00:00
maarten
b6e8f79c1a - fix in prepper code
- added erase_nocascade

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@515 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-02-12 16:35:44 +00:00
maarten
eda40b8eb6 fixed tortoize again
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@512 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-01-16 16:08:27 +00:00
maarten
c0c4be78f2 remove dummies
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@505 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-12-16 12:19:52 +00:00
maarten
513dbb6bfd speed up iterators
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@501 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-12-11 11:16:42 +00:00
maarten
77e0b3f776 symmetrie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@498 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-12-04 13:58:23 +00:00
maarten
a7249eb2ca fix writing atom id in pdb files
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@497 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-25 13:51:15 +00:00
maarten
51aebf844a nieuwe symmetrie code
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@495 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-19 15:22:44 +00:00
maarten
38121e20f5 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@494 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-13 13:58:45 +00:00
maarten
dbd826867f backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@493 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-12 20:17:26 +00:00
maarten
fe519e71a5 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@492 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-11 13:57:43 +00:00
maarten
072882e005 fixed memory leak
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@491 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-11 08:45:29 +00:00
maarten
3ab625cb2b fixed hanging bug (infinite loop caused by invalid cell)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@490 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-06 15:13:22 +00:00
maarten
2583975afd platonyzer werk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@489 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-04 14:19:48 +00:00
maarten
9ec0eae41f backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@488 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-04 12:19:43 +00:00
maarten
f2449abb79 fix for negative numerator
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@487 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-31 09:39:02 +00:00
maarten
4a5312a648 symopnr
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@485 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-31 08:33:33 +00:00
maarten
9c636544b3 new Symmetry
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@484 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-30 18:16:24 +00:00
maarten
19714ecb0b platonyzer work, adding a symop table generator
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@483 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-30 13:58:49 +00:00
maarten
9fbd41aef9 rt werk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@482 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-30 06:57:54 +00:00
maarten
c432ac4d7c backup platonyzer
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@481 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-29 12:33:52 +00:00
maarten
267302429c start platonyzer
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@479 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-28 10:44:04 +00:00
maarten
db164a2045 aanpassen van gelinkte data bij swapAtoms
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@478 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-10-14 13:12:46 +00:00
maarten
9b1e935628 met zonder resources, optioneel
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@475 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-09-17 13:11:09 +00:00
maarten
f1dfe12c24 address/port
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@472 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-09-17 07:19:25 +00:00
maarten
0bdda4610a stukje apple code weggehaald
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@469 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-09-09 11:03:56 +00:00
maarten
530d1110d9 met selectie outliers/etc
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@460 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-09-02 12:13:59 +00:00
maarten
d170c8da78 more fields added
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@454 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-08-26 18:17:00 +00:00
maarten
fe6d7a11ca don't crash on invalid sym operators, just drop them
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@453 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-08-21 07:41:34 +00:00
maarten
6082b11959 mmCQL klaar, voor nu
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@452 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-29 11:50:56 +00:00
maarten
01dbe675c8 a first select
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@451 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-29 10:09:02 +00:00
maarten
a825cfc687 fix remark 3 parser
cif-grep output zero when counted none

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@445 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-24 09:01:51 +00:00
maarten
9f81a4ef89 Fix in remark 3 parsing
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@444 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-24 08:35:36 +00:00
maarten
c9f37c74b4 orphan handling, UNL in prepper
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@443 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-23 14:29:30 +00:00
maarten
ffd82dfee0 bouwen zonder versie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@441 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-22 11:42:40 +00:00
maarten
6ef927cfa1 readme aangepast
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@439 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-22 10:47:06 +00:00
maarten
13a38fd011 fix pdb out (charge)
added options to cif-grep

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@437 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-22 09:12:42 +00:00
maarten
f90990507a fix in sorting atoms in prepper
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@436 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-17 12:48:52 +00:00
maarten
55b1c56647 phenix
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@434 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-10 12:47:19 +00:00
maarten
1c009d481d readme aangepast
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@432 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-09 13:56:02 +00:00
maarten
42c72958a8 fix for buster-tnt parser
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@431 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-09 13:09:35 +00:00
maarten
13109f767a betere makefiles
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@430 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-09 12:34:44 +00:00
maarten
72e6708076 herverkaveling
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@428 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-09 08:36:29 +00:00
maarten
aaf25de2d0 reorganizing
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@426 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-08 12:57:58 +00:00
maarten
0cbb927b0f berekeningen gaan nu goed
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@420 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-03 09:37:03 +00:00
maarten
59f2387b68 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@419 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-03 05:55:05 +00:00
maarten
6d07611e49 start met tortoize
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@415 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-07-01 13:09:42 +00:00
maarten
f7b12dedc0 fix in map-maker... oef
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@414 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-06-13 18:49:15 +00:00
maarten
2cce9e5379 clean up type, recompiling
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@412 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-20 12:12:30 +00:00
maarten
5e1fe8211a type rename for ints
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@411 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-20 11:47:43 +00:00
maarten
29ebdcf7d2 Cleanup with better C++
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@410 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-20 11:37:56 +00:00
maarten
4206f26699 Remove orphans
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@409 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-15 12:41:49 +00:00
maarten
dd7a4f1189 Terug naar boost::regex
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@408 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-13 18:23:47 +00:00
maarten
d1b3f08d5b When updating a value, all linked child elements are renamed too.
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@407 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-08 10:41:23 +00:00
maarten
9a7aeed632 static assert little endianness in mapmaker
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@406 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-07 13:57:01 +00:00
maarten
963d51bbcb masked maps
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@404 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-07 13:19:29 +00:00
maarten
ef7a6f8f9d Oeps, foutje in geheugen management cif categorie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@403 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-05-06 11:29:31 +00:00
maarten
85aed9fb40 fix in authSeqID en vrienden
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@400 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-30 13:43:29 +00:00
maarten
603a0eca6b met map-maker server
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@393 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-30 11:42:04 +00:00
maarten
cccbfe025d map-maker
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@392 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-29 13:05:27 +00:00
maarten
778fa86410 silently ignore non-matching TLS group lines for REFMAC
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@391 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-18 16:56:13 +00:00
maarten
b4da5aeda3 x-plor guessing
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@390 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-18 15:08:12 +00:00
maarten
4ddfe65734 pas op, niet goed, werk aan erase in progress
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@389 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-10 07:21:18 +00:00
maarten
95d0d55715 diverse bugs, refactored links
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@388 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-08 13:06:12 +00:00
maarten
ec09e7ba57 diverse bug fixes
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@387 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-04-08 10:10:48 +00:00
maarten
74750a7940 drop remark 620
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@386 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-25 18:39:06 +00:00
maarten
0de2ae3673 tnt remark 3 output in pdb
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@385 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-25 18:37:24 +00:00
maarten
a236547a54 weer een pdb2cif fix
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@384 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-21 18:46:45 +00:00
maarten
8f12d15439 reflns mandatory fields
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@383 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-21 06:48:39 +00:00
maarten
535ea566de fix buster parser
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@382 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-21 06:38:31 +00:00
maarten
e095d3bf67 fix in pdb2cif code
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@380 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-09 05:27:07 +00:00
maarten
bb0562ebc1 accept empty lines in PDB
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@379 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-03-08 18:51:30 +00:00
maarten
ec4ea697dd versie nummering op de schop
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@376 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-27 10:30:36 +00:00
maarten
4918f572b4 nested werkt blijkbaar toch anders... jammmer
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@375 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-24 13:03:28 +00:00
maarten
0119c93aa0 handle empty compnd
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@374 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-23 16:59:58 +00:00
maarten
03c95609dd accept headerless files
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@373 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-23 07:55:56 +00:00
maarten
3650bc9269 incorrecte veldnamen
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@371 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-11 14:00:39 +00:00
maarten
25e2c38076 programma selectie v. REM3
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@370 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-11 13:28:23 +00:00
maarten
a265b97058 minder strikte kolom check
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@369 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-11 12:13:44 +00:00
maarten
fa7a0de6db aangepaste nonpoly_scheme
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@368 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-11 11:32:13 +00:00
maarten
996710728a water numbering scheme...
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@367 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-11 10:36:37 +00:00
maarten
b5f159c345 error handling
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@366 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-02-04 10:23:15 +00:00
maarten
958d1fb32c round trip fidelity
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@365 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-29 07:38:50 +00:00
maarten
28620841e0 prolsq/nuclsq
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@364 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-28 12:57:17 +00:00
maarten
e0d2c1328c met prolsq remark 3
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@362 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-25 20:23:21 +00:00
maarten
9a54b6b990 fix in validator (ucode vs code)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@361 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-24 18:54:08 +00:00
maarten
e27908b9ee preforked server
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@358 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-21 13:23:39 +00:00
maarten
63fa06d656 preforked server
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@357 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-21 13:09:31 +00:00
maarten
9856d0de35 preforked server
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@355 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-21 12:18:48 +00:00
maarten
a2a1e63e06 alles doet 't weer
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@353 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-16 14:26:12 +00:00
maarten
a83fb55961 refactoring
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@351 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-16 14:11:01 +00:00
maarten
83965b9a7f snellere bondmap
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@349 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-16 13:31:24 +00:00
maarten
e5bd42b4c7 fix voor symmetrie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@348 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-16 13:02:50 +00:00
maarten
602c770a45 betere distancemap
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@347 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-16 12:17:11 +00:00
maarten
64e2793c51 fixed symmetry issue
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@346 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-15 14:47:56 +00:00
maarten
51b6c7eb3f meer snelheid
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@345 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-15 14:34:47 +00:00
maarten
1cf8e7b72a pepflip werkt ook weer
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@344 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-15 10:06:20 +00:00
maarten
bc50f86836 some optimisations
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@343 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-15 08:46:58 +00:00
maarten
909a33c01a optimisation process started
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@342 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-14 14:02:33 +00:00
maarten
f66bd7fdaa backup -- met nieuwe Cif++ optimalisaties
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@341 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-09 14:06:10 +00:00
maarten
7f23427272 added rama-angles application
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@339 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-09 09:48:58 +00:00
maarten
4f2427e95c more timing stats for all
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@338 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-07 13:13:00 +00:00
maarten
1546cedb63 stats met json output
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@337 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-07 12:56:14 +00:00
maarten
d3bc435a2e met skip list
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@336 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-07 10:50:17 +00:00
maarten
4436ad4358 een beetje multithread code en een start met LINK support
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@334 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-01-02 14:06:30 +00:00
maarten
5af0296028 multithreaded pepflip
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@333 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-27 18:54:31 +00:00
maarten
b450cdf16d backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@326 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-19 13:53:06 +00:00
maarten
f96499cdd8 nieuwe dict, validate dict
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@325 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-19 09:54:23 +00:00
maarten
274120c9fc meer optimalisatie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@324 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-19 06:57:16 +00:00
maarten
0d50305679 double support
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@322 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-18 16:47:53 +00:00
maarten
6999b7a12a werkende minimizer...
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@317 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-13 09:03:12 +00:00
maarten
8118c073c4 backup debuggen refinement
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@316 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-10 14:08:22 +00:00
maarten
27bda1c6a0 betere bondmap, nu wel
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@315 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-06 08:22:46 +00:00
maarten
7927a7c0dd cleanup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@313 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-05 15:56:31 +00:00
maarten
39ead681b0 bondmap, toch werkend?
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@312 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-05 15:23:57 +00:00
maarten
9c05120753 vergeten!
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@311 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-05 15:01:14 +00:00
maarten
91abdc568b werkend, maar niet threaded
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@308 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-04 13:54:12 +00:00
maarten
b1a6180a67 merged oud en nieuw
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@307 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-03 19:28:40 +00:00
maarten
a789367ee8 update
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@306 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-03 18:02:22 +00:00
maarten
61dbb7c137 betere output
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@305 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-12-03 14:07:07 +00:00
maarten
834a3a50f9 werk van vandaaag
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@304 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-11-26 14:09:14 +00:00
maarten
7a423aecf7 fix voor symmetrie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@303 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-11-21 15:55:33 +00:00
maarten
91f7f9c238 werk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@302 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-11-21 14:08:34 +00:00
maarten
af930b23a1 aniso density calculation
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@300 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-09-10 13:20:22 +00:00
maarten
8047cda02d grid scaling
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@299 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-09-05 13:20:51 +00:00
maarten
773137e852 betere stats (geen interpolatie cum.prob. als n <= 100)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@297 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-09-03 09:29:31 +00:00
maarten
efd96f18b4 dict optie in stats
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@296 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-08-24 08:23:08 +00:00
maarten
deeac050f9 accept +Inf in pdb
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@295 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-31 08:44:32 +00:00
maarten
0ab408e1b3 accept +Inf in pdb
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@294 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-31 08:37:43 +00:00
maarten
521fafdd32 reflns_shell writing
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@293 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-30 11:48:46 +00:00
maarten
66fa88ec88 more diagnostics for Robbie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@292 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-30 09:17:08 +00:00
maarten
4738d97948 validate compound type for residues to catch errors in (re-)numbering
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@291 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-11 12:43:44 +00:00
maarten
cc2f705a21 pdb id output for stats
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@289 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-07-10 13:22:11 +00:00
maarten
3d9200f990 laatste hand aan pepflip, voor het weekeinde dan. Met coloured voor gekleurde tekst naar een tty
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@287 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-27 12:50:44 +00:00
maarten
0af4eca14f restraints/minimizer fixes
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@286 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-26 14:01:45 +00:00
maarten
26dc7eaa08 progress improvement
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@285 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-20 13:16:44 +00:00
maarten
9b5ef7548f pepflip werk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@284 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-20 13:14:52 +00:00
maarten
41b2231ee5 pepflip werk (met ramachandran scores)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@283 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-19 13:25:41 +00:00
maarten
4a81e814c1 pepflipwerk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@282 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-13 13:22:22 +00:00
maarten
ef6643122f pepflip work
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@281 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-12 14:27:57 +00:00
maarten
00742f65af werkende DSSP
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@280 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-06 17:13:17 +00:00
maarten
1da97e6ebb secondary structure calculation, started
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@279 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-06 13:05:22 +00:00
maarten
38a852ca20 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@277 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-05 13:19:07 +00:00
maarten
a5b64ec805 split off statistics
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@275 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-06-04 13:09:29 +00:00
maarten
6dc402263a dropped newuoa
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@274 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-30 18:01:24 +00:00
maarten
54b8cb5c85 met torsions
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@272 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-30 12:05:21 +00:00
maarten
8bf1f01926 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@270 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-29 12:45:06 +00:00
maarten
791d8bd98a werkende refinement
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@269 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-29 11:52:45 +00:00
maarten
5b963bf62f fix in point
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@268 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-29 06:20:30 +00:00
maarten
0dc6531395 betere distance berekening
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@266 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-28 10:53:14 +00:00
maarten
07617dcdac backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@265 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-23 12:54:37 +00:00
maarten
2a2172a9eb edia fix, missing code from check-in
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@264 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-23 05:56:56 +00:00
maarten
065ba540b2 faster distmap
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@257 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-14 12:30:33 +00:00
maarten
e19fc4f7b6 fix in compound factory
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@256 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-07 10:13:43 +00:00
maarten
db5540cfc6 refactored
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@255 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-07 06:08:16 +00:00
maarten
8aaf0d8813 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@254 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-02 13:17:21 +00:00
maarten
e53c77cb7f fixed stupid atomtype indexing bug
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@253 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-02 11:54:55 +00:00
maarten
1a8d585b9c betere validatie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@252 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-02 10:10:59 +00:00
maarten
d4de02a229 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@251 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-05-01 14:25:48 +00:00
maarten
b60face9af refactored CompoundFactory
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@249 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-30 13:20:27 +00:00
maarten
91f8ac9edd refactored CompoundFactory
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@248 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-30 13:19:10 +00:00
maarten
6d12375691 refactored MapMaker
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@246 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-30 09:07:34 +00:00
maarten
924d37b603 fixed mtz-maker
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@245 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-30 08:42:43 +00:00
maarten
6105c1f6fd laatste fix map making
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@243 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-23 16:54:20 +00:00
maarten
93a96960f1 fix in map making...
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@242 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-23 16:25:15 +00:00
maarten
53091a321a backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@241 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-23 14:35:13 +00:00
maarten
eccf6c8855 refactored MapMaker
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@240 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-18 10:49:27 +00:00
maarten
2a2fefa80d betere mtzfix...
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@239 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-17 13:23:40 +00:00
maarten
65f17a7b26 re-ref en pep-shuffle
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@238 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-16 13:06:38 +00:00
maarten
d2716b4ea2 re-ref started
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@237 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-11 13:21:19 +00:00
maarten
9af1dabbe6 other clipper impl
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@236 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-11 06:58:27 +00:00
maarten
1e4e0638b7 less strict parsing
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@234 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-04 18:43:43 +00:00
maarten
724c834656 block out code
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@232 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-04-04 10:49:49 +00:00
maarten
ef4120fd72 el scf optie
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@231 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-28 08:47:59 +00:00
maarten
3a9688089c electron scattering support
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@230 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-28 07:08:40 +00:00
maarten
eb4f2f778f backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@228 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-26 10:49:07 +00:00
maarten
a793eb4c51 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@226 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-19 14:15:04 +00:00
maarten
6f1a592cc9 OPIA score toegevoegd aan stats programma
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@225 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-19 07:51:11 +00:00
maarten
1242ce1d29 backup voor het weekend
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@224 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-14 14:18:01 +00:00
maarten
7dedb46d08 optimalisatie?
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@223 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-14 08:17:57 +00:00
maarten
0d18d47775 global ignore
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@222 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-12 13:00:34 +00:00
maarten
4664c0bbe0 edit ignore
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@221 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-12 12:58:02 +00:00
maarten
4543e34c00 edit ignore
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@220 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-12 12:57:42 +00:00
maarten
b85f340cc7 chiron, updates
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@219 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-03-07 07:51:16 +00:00
maarten
c73e18fc26 first attempt for chiron
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@218 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-20 14:50:05 +00:00
maarten
17034d3bff backup voor nu
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@217 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-20 10:48:52 +00:00
maarten
4632a41763 chiron started
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@215 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-19 14:16:37 +00:00
maarten
16492f6f5b refactored
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@213 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-14 11:00:07 +00:00
maarten
4362fd9d6e map maker, a start
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@212 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-14 10:04:39 +00:00
maarten
3b44209b15 stats met EDIAm
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@210 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-13 13:09:56 +00:00
maarten
679a15b637 fix in peptidedb
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@209 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-02-12 13:57:05 +00:00
maarten
b4a52806e6 bah ...
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@202 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-24 14:21:09 +00:00
maarten
311961e80b baby steps towards stats
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@194 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-17 12:41:27 +00:00
maarten
0e31a9b17f backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@193 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-15 16:29:57 +00:00
maarten
d3194f8cc0 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@192 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-15 07:23:41 +00:00
maarten
2a9bb5752a stats werk
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@191 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-09 16:22:14 +00:00
maarten
821c1ef94f last fixes for pdb2cif
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@189 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-03 14:29:19 +00:00
maarten
ba0e39c0da fixed aligment in pdb2cif
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@188 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-03 12:12:33 +00:00
maarten
371c2aa876 better REFMAC-bug workarounds
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@186 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2018-01-02 08:58:34 +00:00
maarten
05ec536059 betere check op overflow van waarden in REMARK 3
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@185 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-20 11:27:31 +00:00
maarten
b0272a1cd5 removed warning
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@184 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-13 14:20:30 +00:00
maarten
caf80a0efe cif2map toegevoegd
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@183 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-13 07:33:31 +00:00
maarten
032138c4d3 accept corrupt remark 3 fields, improve cif-grep
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@182 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-11 10:50:44 +00:00
maarten
e0dc9f1c95 pdb2cif fixes
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@181 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-06 13:28:37 +00:00
maarten
c5d277fb43 refactored main using nested exceptions, fixed PDB parser a bit
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@180 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-06 08:47:46 +00:00
maarten
d0b7e21c77 various fixes in pdb2cif
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@179 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-04 14:19:10 +00:00
maarten
b1de54f8b1 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@176 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-12-04 08:50:22 +00:00
maarten
141764edf5 update for edia
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@175 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-27 08:00:59 +00:00
maarten
00fe32b76f update for edia
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@174 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-27 08:00:41 +00:00
maarten
bfd74e6f01 update for edia
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@173 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-27 07:56:40 +00:00
maarten
edf132c4bd backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@172 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-22 14:18:36 +00:00
maarten
f3878b3760 backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@171 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-22 07:17:12 +00:00
maarten
6c93599687 renaming intermediate backup
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@170 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-21 16:03:25 +00:00
maarten
ca881b82b5 reshuffled files
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@169 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2017-11-21 12:42:48 +00:00
146 changed files with 394412 additions and 0 deletions

9
.gitignore vendored Normal file
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@@ -0,0 +1,9 @@
build/
.vscode/
.vs/
tools/update-libcifpp-data
data/components.cif*
CMakeSettings.json
msvc/
src/revision.hpp
test/test-create_sugar_?.cif

3
.gitmodules vendored Normal file
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@@ -0,0 +1,3 @@
[submodule "gxrio"]
path = gxrio
url = https://github.com/mhekkel/gxrio.git

468
CMakeLists.txt Normal file
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@@ -0,0 +1,468 @@
# SPDX-License-Identifier: BSD-2-Clause
# Copyright (c) 2021 NKI/AVL, Netherlands Cancer Institute
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
# 1. Redistributions of source code must retain the above copyright notice, this
# list of conditions and the following disclaimer
# 2. Redistributions in binary form must reproduce the above copyright notice,
# this list of conditions and the following disclaimer in the documentation
# and/or other materials provided with the distribution.
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
# ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
# WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
# ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
# (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
# LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
# ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
cmake_minimum_required(VERSION 3.16)
# set the project name
project(cifpp VERSION 5.0.2 LANGUAGES CXX)
list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
include(GNUInstallDirs)
include(CheckFunctionExists)
include(CheckIncludeFiles)
include(CheckLibraryExists)
include(CMakePackageConfigHelpers)
include(CheckCXXSourceCompiles)
set(CXX_EXTENSIONS OFF)
set(CMAKE_CXX_STANDARD 20)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers")
elseif(MSVC)
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /W4")
endif()
# Building shared libraries?
option(BUILD_SHARED_LIBS "Build a shared library instead of a static one" OFF)
# We do not want to write an export file for all our symbols...
set(CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS ON)
# Optionally build a version to be installed inside CCP4
option(BUILD_FOR_CCP4 "Build a version to be installed in CCP4" OFF)
# Lots of code depend on the availability of the components.cif file
option(CIFPP_DOWNLOAD_CCD "Download the CCD file components.cif during installation" ON)
# An optional cron script can be installed to keep the data files up-to-date
if(UNIX)
option(CIFPP_INSTALL_UPDATE_SCRIPT "Install the script to update CCD and dictionary files" ON)
endif()
# When CCP4 is sourced in the environment, we can recreate the symmetry operations table
if(EXISTS "$ENV{CCP4}")
if(EXISTS "$ENV{CLIBD}/syminfo.lib")
option(CIFPP_RECREATE_SYMOP_DATA "Recreate SymOp data table in case it is out of date" ON)
else()
set(CIFPP_RECREATE_SYMOP_DATA OFF)
message(WARNING "Symop data table recreation requested, but file syminfo.lib was not found in $ENV{CLIBD}")
endif()
else()
set(CIFPP_RECREATE_SYMOP_DATA OFF)
message("Not trying to recreate symop_table_data.hpp since CCP4 is not defined")
endif()
# Unit tests
option(ENABLE_TESTING "Build test exectuables" OFF)
if(BUILD_FOR_CCP4)
if("$ENV{CCP4}" STREQUAL "" OR NOT EXISTS $ENV{CCP4})
message(FATAL_ERROR "A CCP4 built was requested but CCP4 was not sourced")
else()
list(APPEND CMAKE_MODULE_PATH "$ENV{CCP4}")
list(APPEND CMAKE_PREFIX_PATH "$ENV{CCP4}")
set(CMAKE_INSTALL_PREFIX "$ENV{CCP4}")
if(WIN32)
set(BUILD_SHARED_LIBS ON)
endif()
endif()
endif()
if(MSVC)
# make msvc standards compliant...
add_compile_options(/permissive-)
macro(get_WIN32_WINNT version)
if(WIN32 AND CMAKE_SYSTEM_VERSION)
set(ver ${CMAKE_SYSTEM_VERSION})
string(REPLACE "." "" ver ${ver})
string(REGEX REPLACE "([0-9])" "0\\1" ver ${ver})
set(${version} "0x${ver}")
endif()
endmacro()
get_WIN32_WINNT(ver)
add_definitions(-D_WIN32_WINNT=${ver})
endif()
# Libraries
# Start by finding out if std:regex is usable. Note that the current
# implementation in GCC is not acceptable, it crashes on long lines.
# The implementation in libc++ (clang) and MSVC seem to be OK.
check_cxx_source_compiles("
#include <iostream>
#ifndef __GLIBCXX__
#error
#endif
int main(int argc, char *argv[]) { return 0; }" GXX_LIBSTDCPP)
if(GXX_LIBSTDCPP)
message(STATUS "Testing for known regex bug, since you're using GNU libstdc++")
try_run(STD_REGEX_RUNNING STD_REGEX_COMPILING
${CMAKE_CURRENT_BINARY_DIR}/test ${PROJECT_SOURCE_DIR}/cmake/test-rx.cpp)
if(STD_REGEX_RUNNING STREQUAL FAILED_TO_RUN)
message(STATUS "You are probably trying to compile using the g++ standard library which contains a crashing std::regex implementation. Will use boost::regex instead")
add_subdirectory(regex EXCLUDE_FROM_ALL)
set(BOOST_REGEX ON)
endif()
endif()
set(CMAKE_THREAD_PREFER_PTHREAD)
set(THREADS_PREFER_PTHREAD_FLAG)
find_package(Threads)
if(MSVC)
# Avoid linking the shared library of zlib
# Search ZLIB_ROOT first if it is set.
if(ZLIB_ROOT)
set(_ZLIB_SEARCH_ROOT PATHS ${ZLIB_ROOT} NO_DEFAULT_PATH)
list(APPEND _ZLIB_SEARCHES _ZLIB_SEARCH_ROOT)
endif()
# Normal search.
set(_ZLIB_x86 "(x86)")
set(_ZLIB_SEARCH_NORMAL
PATHS "[HKEY_LOCAL_MACHINE\\SOFTWARE\\GnuWin32\\Zlib;InstallPath]"
"$ENV{ProgramFiles}/zlib"
"$ENV{ProgramFiles${_ZLIB_x86}}/zlib")
unset(_ZLIB_x86)
list(APPEND _ZLIB_SEARCHES _ZLIB_SEARCH_NORMAL)
foreach(search ${_ZLIB_SEARCHES})
find_library(ZLIB_LIBRARY NAMES zlibstatic NAMES_PER_DIR ${${search}} PATH_SUFFIXES lib)
endforeach()
endif()
find_package(ZLIB REQUIRED)
include(FindFilesystem)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPFS_LIBRARY})
include(FindAtomic)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPATOMIC_LIBRARY})
# Create a revision file, containing the current git version info
include(VersionString)
write_version_header(${PROJECT_SOURCE_DIR}/src/ "LibCIFPP")
# SymOp data table
if(CIFPP_RECREATE_SYMOP_DATA)
# The tool to create the table
add_executable(symop-map-generator "${PROJECT_SOURCE_DIR}/src/symop-map-generator.cpp")
add_custom_command(
OUTPUT ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
COMMAND $<TARGET_FILE:symop-map-generator> $ENV{CLIBD}/syminfo.lib ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
)
add_custom_target(
OUTPUT ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
DEPENDS symop-map-generator "$ENV{CLIBD}/syminfo.lib"
)
endif()
# Sources
set(project_sources
${PROJECT_SOURCE_DIR}/src/category.cpp
${PROJECT_SOURCE_DIR}/src/condition.cpp
${PROJECT_SOURCE_DIR}/src/datablock.cpp
${PROJECT_SOURCE_DIR}/src/dictionary_parser.cpp
${PROJECT_SOURCE_DIR}/src/file.cpp
${PROJECT_SOURCE_DIR}/src/item.cpp
${PROJECT_SOURCE_DIR}/src/parser.cpp
${PROJECT_SOURCE_DIR}/src/row.cpp
${PROJECT_SOURCE_DIR}/src/validate.cpp
${PROJECT_SOURCE_DIR}/src/text.cpp
${PROJECT_SOURCE_DIR}/src/utilities.cpp
${PROJECT_SOURCE_DIR}/src/atom_type.cpp
${PROJECT_SOURCE_DIR}/src/compound.cpp
${PROJECT_SOURCE_DIR}/src/point.cpp
${PROJECT_SOURCE_DIR}/src/symmetry.cpp
${PROJECT_SOURCE_DIR}/src/model.cpp
${PROJECT_SOURCE_DIR}/src/pdb/cif2pdb.cpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb2cif.cpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb2cif_remark_3.cpp
${PROJECT_SOURCE_DIR}/src/pdb/tls.cpp
)
set(project_headers
${PROJECT_SOURCE_DIR}/include/cif++.hpp
${PROJECT_SOURCE_DIR}/include/cif++/utilities.hpp
${PROJECT_SOURCE_DIR}/include/cif++/item.hpp
${PROJECT_SOURCE_DIR}/include/cif++/datablock.hpp
${PROJECT_SOURCE_DIR}/include/cif++/file.hpp
${PROJECT_SOURCE_DIR}/include/cif++/validate.hpp
${PROJECT_SOURCE_DIR}/include/cif++/list.hpp
${PROJECT_SOURCE_DIR}/include/cif++/iterator.hpp
${PROJECT_SOURCE_DIR}/include/cif++/parser.hpp
${PROJECT_SOURCE_DIR}/include/cif++/forward_decl.hpp
${PROJECT_SOURCE_DIR}/include/cif++/dictionary_parser.hpp
${PROJECT_SOURCE_DIR}/include/cif++/condition.hpp
${PROJECT_SOURCE_DIR}/include/cif++/category.hpp
${PROJECT_SOURCE_DIR}/include/cif++/row.hpp
${PROJECT_SOURCE_DIR}/include/cif++/atom_type.hpp
${PROJECT_SOURCE_DIR}/include/cif++/compound.hpp
${PROJECT_SOURCE_DIR}/include/cif++/point.hpp
${PROJECT_SOURCE_DIR}/include/cif++/symmetry.hpp
${PROJECT_SOURCE_DIR}/include/cif++/model.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/cif2pdb.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/io.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/pdb2cif.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/pdb2cif_remark_3.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/tls.hpp
)
add_library(cifpp ${project_sources} ${project_headers} ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp)
add_library(cifpp::cifpp ALIAS cifpp)
if(BOOST_REGEX)
target_compile_definitions(cifpp PRIVATE USE_BOOST_REGEX=1 BOOST_REGEX_STANDALONE=1)
target_include_directories(cifpp PRIVATE regex/include)
endif()
if(MSVC)
target_compile_definitions(cifpp PUBLIC NOMINMAX=1)
endif()
set_target_properties(cifpp PROPERTIES POSITION_INDEPENDENT_CODE ON)
target_include_directories(cifpp
PUBLIC
"$<BUILD_INTERFACE:${PROJECT_SOURCE_DIR}/include>"
"$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>"
)
target_link_libraries(cifpp PUBLIC Threads::Threads ZLIB::ZLIB ${CIFPP_REQUIRED_LIBRARIES})
if(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang")
target_link_options(cifpp PRIVATE -undefined dynamic_lookup)
endif(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang")
if(CIFPP_DOWNLOAD_CCD)
# download the components.cif file from CCD
set(COMPONENTS_CIF ${PROJECT_SOURCE_DIR}/data/components.cif)
if(NOT EXISTS ${COMPONENTS_CIF})
if(NOT EXISTS ${PROJECT_SOURCE_DIR}/data)
file(MAKE_DIRECTORY ${PROJECT_SOURCE_DIR}/data/)
endif()
find_program(GUNZIP gunzip)
if(GUNZIP)
file(DOWNLOAD ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz ${COMPONENTS_CIF}.gz
SHOW_PROGRESS)
add_custom_command(OUTPUT ${COMPONENTS_CIF}
COMMAND ${GUNZIP} ${COMPONENTS_CIF}.gz
WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/data/)
else()
file(DOWNLOAD ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif ${COMPONENTS_CIF}
SHOW_PROGRESS)
endif()
endif()
add_custom_target(COMPONENTS ALL DEPENDS ${COMPONENTS_CIF})
endif()
if(UNIX)
set(CIFPP_CACHE_DIR "/var/cache/libcifpp" CACHE STRING "The cache directory to use")
target_compile_definitions(cifpp PUBLIC CACHE_DIR="${CIFPP_CACHE_DIR}")
endif()
set(INCLUDE_INSTALL_DIR ${CMAKE_INSTALL_INCLUDEDIR})
set(LIBRARY_INSTALL_DIR ${CMAKE_INSTALL_LIBDIR})
set(SHARE_INSTALL_DIR ${CMAKE_INSTALL_DATADIR}/libcifpp)
set(CIFPP_DATA_DIR "${CMAKE_INSTALL_PREFIX}/${SHARE_INSTALL_DIR}" CACHE STRING "The directory containing the provided data files")
target_compile_definitions(cifpp PUBLIC DATA_DIR="${CIFPP_DATA_DIR}")
# Install rules
install(TARGETS cifpp
EXPORT cifppTargets
ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}
LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
INCLUDES DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
if(MSVC AND BUILD_SHARED_LIBS)
install(
FILES $<TARGET_PDB_FILE:${PROJECT_NAME}>
DESTINATION ${CMAKE_INSTALL_LIBDIR}
OPTIONAL)
endif()
install(EXPORT cifppTargets
FILE "cifppTargets.cmake"
NAMESPACE cifpp::
DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
)
install(
DIRECTORY include/cif++
DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}
COMPONENT Devel
)
install(
FILES include/cif++.hpp
DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}
COMPONENT Devel
)
install(FILES
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ma.dic
${COMPONENTS_CIF}
DESTINATION ${CIFPP_DATA_DIR}
)
set(CONFIG_TEMPLATE_FILE ${PROJECT_SOURCE_DIR}/cmake/cifppConfig.cmake.in)
configure_package_config_file(
${CONFIG_TEMPLATE_FILE}
${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfig.cmake
INSTALL_DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
PATH_VARS INCLUDE_INSTALL_DIR LIBRARY_INSTALL_DIR SHARE_INSTALL_DIR
)
install(FILES
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfig.cmake"
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfigVersion.cmake"
DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
COMPONENT Devel
)
set(cifpp_MAJOR_VERSION ${CMAKE_PROJECT_VERSION_MAJOR})
set_target_properties(cifpp PROPERTIES
VERSION ${PROJECT_VERSION}
SOVERSION ${cifpp_MAJOR_VERSION}
INTERFACE_cifpp_MAJOR_VERSION ${cifpp_MAJOR_VERSION})
set_property(TARGET cifpp APPEND PROPERTY
COMPATIBLE_INTERFACE_STRING cifpp_MAJOR_VERSION
)
write_basic_package_version_file(
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfigVersion.cmake"
VERSION ${PROJECT_VERSION}
COMPATIBILITY AnyNewerVersion
)
# pkgconfig support
set(prefix ${CMAKE_INSTALL_PREFIX})
set(exec_prefix ${CMAKE_INSTALL_PREFIX})
set(libdir ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR})
set(includedir ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_INCLUDEDIR})
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libcifpp.pc.in
${CMAKE_CURRENT_BINARY_DIR}/libcifpp.pc.in @ONLY)
file(GENERATE OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.pc
INPUT ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.pc.in)
install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
if(ENABLE_TESTING)
enable_testing()
find_package(Boost REQUIRED)
list(APPEND CIFPP_tests unit-v2 unit-3d format model rename-compound sugar
)
foreach(CIFPP_TEST IN LISTS CIFPP_tests)
set(CIFPP_TEST "${CIFPP_TEST}-test")
set(CIFPP_TEST_SOURCE "${CMAKE_CURRENT_SOURCE_DIR}/test/${CIFPP_TEST}.cpp")
add_executable(${CIFPP_TEST} ${CIFPP_TEST_SOURCE})
target_link_libraries(${CIFPP_TEST} PRIVATE Threads::Threads cifpp::cifpp Boost::boost)
if(MSVC)
# Specify unwind semantics so that MSVC knowns how to handle exceptions
target_compile_options(${CIFPP_TEST} PRIVATE /EHsc)
endif()
add_custom_target("run-${CIFPP_TEST}" DEPENDS ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch ${CIFPP_TEST})
add_custom_command(
OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch
COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${PROJECT_SOURCE_DIR}/test)
add_test(NAME ${CIFPP_TEST}
COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${PROJECT_SOURCE_DIR}/test)
endforeach()
endif()
message("Will install in ${CMAKE_INSTALL_PREFIX}")
# Optionally install the update scripts for CCD and dictionary files
if(CIFPP_INSTALL_UPDATE_SCRIPT)
set(CIFPP_CRON_DIR "$ENV{DESTDIR}/etc/cron.weekly")
configure_file(${PROJECT_SOURCE_DIR}/tools/update-libcifpp-data.in update-libcifpp-data @ONLY)
install(
FILES ${CMAKE_CURRENT_BINARY_DIR}/update-libcifpp-data
DESTINATION ${CIFPP_CRON_DIR}
PERMISSIONS OWNER_EXECUTE OWNER_READ GROUP_EXECUTE GROUP_READ WORLD_EXECUTE WORLD_READ
)
install(DIRECTORY DESTINATION ${CIFPP_CACHE_DIR})
install(DIRECTORY DESTINATION "$ENV{DESTDIR}/etc/libcifpp/cache-update.d")
# a config to, to make it complete
if(NOT EXISTS "$ENV{DESTDIR}/etc/libcifpp.conf")
file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.conf [[# Uncomment the next line to enable automatic updates
# update=true
]])
install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.conf DESTINATION "$ENV{DESTDIR}/etc")
install(CODE "message(\"A configuration file has been written to $ENV{DESTDIR}/etc/libcifpp.conf, please edit this file to enable automatic updates\")")
endif()
target_compile_definitions(cifpp PUBLIC CACHE_DIR="${CIFPP_CACHE_DIR}")
endif()
set(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
set(CPACK_SOURCE_TGZ ON)
set(CPACK_SOURCE_TBZ2 OFF)
set(CPACK_SOURCE_TXZ OFF)
set(CPACK_SOURCE_TZ OFF)
set(CPACK_SOURCE_IGNORE_FILES "/data/components.cif;/build;/.vscode;/.git;/regex")
set(CPACK_PACKAGE_FILE_NAME "${PROJECT_NAME}-${PROJECT_VERSION}")
set(CPACK_SOURCE_PACKAGE_FILE_NAME ${CPACK_PACKAGE_FILE_NAME})
include(CPack)

24
LICENSE Normal file
View File

@@ -0,0 +1,24 @@
BSD-2-Clause License
Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

46
README.md Normal file
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@@ -0,0 +1,46 @@
libcifpp
========
This library contains code to work with mmCIF and PDB files.
Requirements
------------
The code for this library was written in C++17. You therefore need a
recent compiler to build it. For the development gcc 9.3 and clang 9.0
have been used as well as MSVC version 2019.
Other requirements are:
- [mrc](https://github.com/mhekkel/mrc), a resource compiler that
allows including data files into the executable making them easier to
install. Strictly this is optional, but at the expense of functionality.
Building
--------
This library uses [cmake](https://cmake.org). The usual way of building
and installing is to create a `build` directory and run cmake there.
On linux e.g. you would issue the following commands:
```
git clone https://github.com/PDB-REDO/libcifpp.git
cd libcifpp
mkdir build
cd build
cmake ..
cmake --build . --config Release
ctest -C Release
cmake --install .
```
This checks out the source code from github, creates a new directory
where cmake stores its files. Run a configure, build the code and run
tests. And then it installs the library and auxiliary files.
The default is to install everything in `$HOME/.local` on Linux and
`%LOCALAPPDATA%` on Windows (the AppData/Local folder in your home directory).
You can change this by specifying the prefix with the
[CMAKE_INSTALL_PREFIX](https://cmake.org/cmake/help/v3.21/variable/CMAKE_INSTALL_PREFIX.html)
variable.

99
changelog Normal file
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@@ -0,0 +1,99 @@
Version 5.0.2
- Fix export of CISPEP records in PDB format
- Better support for exporting package_source
Version 5.0.1
- Fix loading dictionaries
- Support for cifv1.0 files
Version 5.0.0
- Total rewrite of cif part
- Removed DSSP code, moved into dssp project itself
Version 4.2.1
- Improved REMARK 3 parser (for TLS in large molecules)
Version 4.2.0
- Yet another rewrite of resource loading
Version 4.1.1
- Fall back to zero charge for scattering factors if the atom
was not found in the table.
- Improve code to locate resources, failing less.
Version 4.1.0
- Some interface changes for mmcif::Atom
Version 4.0.1
- Added a bunch of const methods to Datablock and Category.
- Changed PDB writing interface to accept Datablock instead of File.
Version 4.0.0
- getResidue in mmcif::Structure now requires both a
sequence ID and an auth sequence ID. As a result the code was cleaned
up considerably.
Version 3.0.5
- mmcif::Structure redesign. It is now a wrapper around a cif::Datablock.
Version 3.0.4
- Fix in mmCIF parser, now correctly handles the unquoted
string ??
Version 3.0.3
- Better configuration checks, for atomic e.g.
- Fixed a problem introduced in refactoring mmcif::Atom
- Version string creation
Version 3.0.2
- refactored mmcif::Atom for performance reasons
Version 3.0.1
- Fixed processing of proline restraints file from CCP4, proline
is a peptide, really.
- Added code to facilitate DSSP
Version 3.0.0
- Replaced many strings in the API with string_view for
performance reasons.
- Upgraded mmcif::Structure
- various other small fixes
Version 2.0.5
- Backporting updated CMakeLists.txt file
Version 2.0.4
- Reverted a too strict test when reading cif files.
Version 2.0.3
- Fixed reading mmCIF files where model numbers are used and
model number 1 is missing.
Version 2.0.2
- Added configuration flag to disable downloading CCD data during build
Note that there are now two flags for CCD data:
DOWNLOAD_CCD to enable downloading during build
INSTALL_UPDATE_SCRIPT to install an update mechanism for this file
- Updated unit tests to work even if no CCD data is available
Version 2.0.1
- Fixed the generator for the symmetry operator table
Version 2.0.0
- New API interface for accessing query results
- Removed bzip2 support
- improved makefiles
Version 1.1.1
- Now with full support for MS Windows
Version 1.1.0
- Changed from GNU configure to CMake.
- Loading compound information from CCD file
Version 1.0.1
- Changed the way resources are looked up, local dir first,
then /var/cache and finally compiled in resources (with mrc).
Version 1.0.0
- First public release

62
cmake/FindAtomic.cmake Normal file
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@@ -0,0 +1,62 @@
# Simple check to see if we need a library for std::atomic
if(TARGET std::atomic)
return()
endif()
cmake_minimum_required(VERSION 3.10)
include(CMakePushCheckState)
include(CheckIncludeFileCXX)
include(CheckCXXSourceRuns)
cmake_push_check_state()
check_include_file_cxx("atomic" _CXX_ATOMIC_HAVE_HEADER)
mark_as_advanced(_CXX_ATOMIC_HAVE_HEADER)
set(code [[
#include <atomic>
int main(int argc, char** argv) {
std::atomic<long long> s;
++s;
return 0;
}
]])
check_cxx_source_runs("${code}" _CXX_ATOMIC_BUILTIN)
if(_CXX_ATOMIC_BUILTIN)
set(_found 1)
else()
list(APPEND CMAKE_REQUIRED_LIBRARIES atomic)
list(APPEND FOLLY_LINK_LIBRARIES atomic)
check_cxx_source_runs("${code}" _CXX_ATOMIC_LIB_NEEDED)
if (NOT _CXX_ATOMIC_LIB_NEEDED)
message(FATAL_ERROR "unable to link C++ std::atomic code: you may need \
to install GNU libatomic")
else()
set(_found 1)
endif()
endif()
if(_found)
add_library(std::atomic INTERFACE IMPORTED)
set_property(TARGET std::atomic APPEND PROPERTY INTERFACE_COMPILE_FEATURES cxx_std_14)
if(_CXX_ATOMIC_BUILTIN)
# Nothing to add...
elseif(_CXX_ATOMIC_LIB_NEEDED)
set_target_properties(std::atomic PROPERTIES IMPORTED_LIBNAME atomic)
set(STDCPPATOMIC_LIBRARY atomic)
endif()
endif()
cmake_pop_check_state()
set(Atomic_FOUND ${_found} CACHE BOOL "TRUE if we can run a program using std::atomic" FORCE)
if(Atomic_FIND_REQUIRED AND NOT Atomic_FOUND)
message(FATAL_ERROR "Cannot run simple program using std::atomic")
endif()

View File

@@ -0,0 +1,74 @@
# Simplistic reimplementation of https://github.com/vector-of-bool/CMakeCM/blob/master/modules/FindFilesystem.cmake
if(TARGET std::filesystem)
return()
endif()
cmake_minimum_required(VERSION 3.10)
include(CMakePushCheckState)
include(CheckIncludeFileCXX)
include(CheckCXXSourceCompiles)
cmake_push_check_state()
check_include_file_cxx("filesystem" _CXX_FILESYSTEM_HAVE_HEADER)
mark_as_advanced(_CXX_FILESYSTEM_HAVE_HEADER)
set(code [[
#include <cstdlib>
#include <filesystem>
int main() {
auto cwd = std::filesystem::current_path();
return EXIT_SUCCESS;
}
]])
if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU" AND CMAKE_CXX_COMPILER_VERSION VERSION_LESS_EQUAL 8.4.0)
# >> https://stackoverflow.com/questions/63902528/program-crashes-when-filesystempath-is-destroyed
set(CXX_FILESYSTEM_NO_LINK_NEEDED 0)
else()
# Check a simple filesystem program without any linker flags
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_NO_LINK_NEEDED)
endif()
if(CXX_FILESYSTEM_NO_LINK_NEEDED)
set(_found 1)
else()
set(prev_libraries ${CMAKE_REQUIRED_LIBRARIES})
# Add the libstdc++ flag
set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lstdc++fs)
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_STDCPPFS_NEEDED)
set(_found ${CXX_FILESYSTEM_STDCPPFS_NEEDED})
if(NOT CXX_FILESYSTEM_STDCPPFS_NEEDED)
# Try the libc++ flag
set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lc++fs)
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_CPPFS_NEEDED)
set(_found ${CXX_FILESYSTEM_CPPFS_NEEDED})
endif()
endif()
if(_found)
add_library(std::filesystem INTERFACE IMPORTED)
set_property(TARGET std::filesystem APPEND PROPERTY INTERFACE_COMPILE_FEATURES cxx_std_17)
if(CXX_FILESYSTEM_NO_LINK_NEEDED)
# Nothing to add...
elseif(CXX_FILESYSTEM_STDCPPFS_NEEDED)
set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME stdc++fs)
set(STDCPPFS_LIBRARY stdc++fs)
elseif(CXX_FILESYSTEM_CPPFS_NEEDED)
set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME c++fs)
set(STDCPPFS_LIBRARY c++fs)
endif()
endif()
cmake_pop_check_state()
set(Filesystem_FOUND ${_found} CACHE BOOL "TRUE if we can run a program using std::filesystem" FORCE)
if(Filesystem_FIND_REQUIRED AND NOT Filesystem_FOUND)
message(FATAL_ERROR "Cannot run simple program using std::filesystem")
endif()

View File

@@ -0,0 +1,284 @@
# - Returns a version string from Git
#
# These functions force a re-configure on each git commit so that you can
# trust the values of the variables in your build system.
#
# get_git_head_revision(<refspecvar> <hashvar> [ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR])
#
# Returns the refspec and sha hash of the current head revision
#
# git_describe(<var> [<additional arguments to git describe> ...])
#
# Returns the results of git describe on the source tree, and adjusting
# the output so that it tests false if an error occurs.
#
# git_describe_working_tree(<var> [<additional arguments to git describe> ...])
#
# Returns the results of git describe on the working tree (--dirty option),
# and adjusting the output so that it tests false if an error occurs.
#
# git_get_exact_tag(<var> [<additional arguments to git describe> ...])
#
# Returns the results of git describe --exact-match on the source tree,
# and adjusting the output so that it tests false if there was no exact
# matching tag.
#
# git_local_changes(<var>)
#
# Returns either "CLEAN" or "DIRTY" with respect to uncommitted changes.
# Uses the return code of "git diff-index --quiet HEAD --".
# Does not regard untracked files.
#
# Requires CMake 2.6 or newer (uses the 'function' command)
#
# Original Author:
# 2009-2020 Ryan Pavlik <ryan.pavlik@gmail.com> <abiryan@ryand.net>
# http://academic.cleardefinition.com
#
# Copyright 2009-2013, Iowa State University.
# Copyright 2013-2020, Ryan Pavlik
# Copyright 2013-2020, Contributors
# SPDX-License-Identifier: BSL-1.0
# Distributed under the Boost Software License, Version 1.0.
# (See accompanying file LICENSE_1_0.txt or copy at
# http://www.boost.org/LICENSE_1_0.txt)
if(__get_git_revision_description)
return()
endif()
set(__get_git_revision_description YES)
# We must run the following at "include" time, not at function call time,
# to find the path to this module rather than the path to a calling list file
get_filename_component(_gitdescmoddir ${CMAKE_CURRENT_LIST_FILE} PATH)
# Function _git_find_closest_git_dir finds the next closest .git directory
# that is part of any directory in the path defined by _start_dir.
# The result is returned in the parent scope variable whose name is passed
# as variable _git_dir_var. If no .git directory can be found, the
# function returns an empty string via _git_dir_var.
#
# Example: Given a path C:/bla/foo/bar and assuming C:/bla/.git exists and
# neither foo nor bar contain a file/directory .git. This wil return
# C:/bla/.git
#
function(_git_find_closest_git_dir _start_dir _git_dir_var)
set(cur_dir "${_start_dir}")
set(git_dir "${_start_dir}/.git")
while(NOT EXISTS "${git_dir}")
# .git dir not found, search parent directories
set(git_previous_parent "${cur_dir}")
get_filename_component(cur_dir "${cur_dir}" DIRECTORY)
if(cur_dir STREQUAL git_previous_parent)
# We have reached the root directory, we are not in git
set(${_git_dir_var}
""
PARENT_SCOPE)
return()
endif()
set(git_dir "${cur_dir}/.git")
endwhile()
set(${_git_dir_var}
"${git_dir}"
PARENT_SCOPE)
endfunction()
function(get_git_head_revision _refspecvar _hashvar)
_git_find_closest_git_dir("${CMAKE_CURRENT_SOURCE_DIR}" GIT_DIR)
if("${ARGN}" STREQUAL "ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR")
set(ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR TRUE)
else()
set(ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR FALSE)
endif()
if(NOT "${GIT_DIR}" STREQUAL "")
file(RELATIVE_PATH _relative_to_source_dir "${CMAKE_SOURCE_DIR}"
"${GIT_DIR}")
if("${_relative_to_source_dir}" MATCHES "[.][.]" AND NOT ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR)
# We've gone above the CMake root dir.
set(GIT_DIR "")
endif()
endif()
if("${GIT_DIR}" STREQUAL "")
set(${_refspecvar}
"GITDIR-NOTFOUND"
PARENT_SCOPE)
set(${_hashvar}
"GITDIR-NOTFOUND"
PARENT_SCOPE)
return()
endif()
# Check if the current source dir is a git submodule or a worktree.
# In both cases .git is a file instead of a directory.
#
if(NOT IS_DIRECTORY ${GIT_DIR})
# The following git command will return a non empty string that
# points to the super project working tree if the current
# source dir is inside a git submodule.
# Otherwise the command will return an empty string.
#
execute_process(
COMMAND "${GIT_EXECUTABLE}" rev-parse
--show-superproject-working-tree
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}"
OUTPUT_VARIABLE out
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(NOT "${out}" STREQUAL "")
# If out is empty, GIT_DIR/CMAKE_CURRENT_SOURCE_DIR is in a submodule
file(READ ${GIT_DIR} submodule)
string(REGEX REPLACE "gitdir: (.*)$" "\\1" GIT_DIR_RELATIVE
${submodule})
string(STRIP ${GIT_DIR_RELATIVE} GIT_DIR_RELATIVE)
get_filename_component(SUBMODULE_DIR ${GIT_DIR} PATH)
get_filename_component(GIT_DIR ${SUBMODULE_DIR}/${GIT_DIR_RELATIVE}
ABSOLUTE)
set(HEAD_SOURCE_FILE "${GIT_DIR}/HEAD")
else()
# GIT_DIR/CMAKE_CURRENT_SOURCE_DIR is in a worktree
file(READ ${GIT_DIR} worktree_ref)
# The .git directory contains a path to the worktree information directory
# inside the parent git repo of the worktree.
#
string(REGEX REPLACE "gitdir: (.*)$" "\\1" git_worktree_dir
${worktree_ref})
string(STRIP ${git_worktree_dir} git_worktree_dir)
_git_find_closest_git_dir("${git_worktree_dir}" GIT_DIR)
set(HEAD_SOURCE_FILE "${git_worktree_dir}/HEAD")
endif()
else()
set(HEAD_SOURCE_FILE "${GIT_DIR}/HEAD")
endif()
set(GIT_DATA "${CMAKE_CURRENT_BINARY_DIR}/CMakeFiles/git-data")
if(NOT EXISTS "${GIT_DATA}")
file(MAKE_DIRECTORY "${GIT_DATA}")
endif()
if(NOT EXISTS "${HEAD_SOURCE_FILE}")
return()
endif()
set(HEAD_FILE "${GIT_DATA}/HEAD")
configure_file("${HEAD_SOURCE_FILE}" "${HEAD_FILE}" COPYONLY)
configure_file("${_gitdescmoddir}/GetGitRevisionDescription.cmake.in"
"${GIT_DATA}/grabRef.cmake" @ONLY)
include("${GIT_DATA}/grabRef.cmake")
set(${_refspecvar}
"${HEAD_REF}"
PARENT_SCOPE)
set(${_hashvar}
"${HEAD_HASH}"
PARENT_SCOPE)
endfunction()
function(git_describe _var)
if(NOT GIT_FOUND)
find_package(Git QUIET)
endif()
get_git_head_revision(refspec hash)
if(NOT GIT_FOUND)
set(${_var}
"GIT-NOTFOUND"
PARENT_SCOPE)
return()
endif()
if(NOT hash)
set(${_var}
"HEAD-HASH-NOTFOUND"
PARENT_SCOPE)
return()
endif()
# TODO sanitize
#if((${ARGN}" MATCHES "&&") OR
# (ARGN MATCHES "||") OR
# (ARGN MATCHES "\\;"))
# message("Please report the following error to the project!")
# message(FATAL_ERROR "Looks like someone's doing something nefarious with git_describe! Passed arguments ${ARGN}")
#endif()
#message(STATUS "Arguments to execute_process: ${ARGN}")
execute_process(
COMMAND "${GIT_EXECUTABLE}" describe --tags --always ${hash} ${ARGN}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}"
RESULT_VARIABLE res
OUTPUT_VARIABLE out
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(NOT res EQUAL 0)
set(out "${out}-${res}-NOTFOUND")
endif()
set(${_var}
"${out}"
PARENT_SCOPE)
endfunction()
function(git_describe_working_tree _var)
if(NOT GIT_FOUND)
find_package(Git QUIET)
endif()
if(NOT GIT_FOUND)
set(${_var}
"GIT-NOTFOUND"
PARENT_SCOPE)
return()
endif()
execute_process(
COMMAND "${GIT_EXECUTABLE}" describe --dirty ${ARGN}
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}"
RESULT_VARIABLE res
OUTPUT_VARIABLE out
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(NOT res EQUAL 0)
set(out "${out}-${res}-NOTFOUND")
endif()
set(${_var}
"${out}"
PARENT_SCOPE)
endfunction()
function(git_get_exact_tag _var)
git_describe(out --exact-match ${ARGN})
set(${_var}
"${out}"
PARENT_SCOPE)
endfunction()
function(git_local_changes _var)
if(NOT GIT_FOUND)
find_package(Git QUIET)
endif()
get_git_head_revision(refspec hash)
if(NOT GIT_FOUND)
set(${_var}
"GIT-NOTFOUND"
PARENT_SCOPE)
return()
endif()
if(NOT hash)
set(${_var}
"HEAD-HASH-NOTFOUND"
PARENT_SCOPE)
return()
endif()
execute_process(
COMMAND "${GIT_EXECUTABLE}" diff-index --quiet HEAD --
WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}"
RESULT_VARIABLE res
OUTPUT_VARIABLE out
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(res EQUAL 0)
set(${_var}
"CLEAN"
PARENT_SCOPE)
else()
set(${_var}
"DIRTY"
PARENT_SCOPE)
endif()
endfunction()

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@@ -0,0 +1,43 @@
#
# Internal file for GetGitRevisionDescription.cmake
#
# Requires CMake 2.6 or newer (uses the 'function' command)
#
# Original Author:
# 2009-2010 Ryan Pavlik <rpavlik@iastate.edu> <abiryan@ryand.net>
# http://academic.cleardefinition.com
# Iowa State University HCI Graduate Program/VRAC
#
# Copyright 2009-2012, Iowa State University
# Copyright 2011-2015, Contributors
# Distributed under the Boost Software License, Version 1.0.
# (See accompanying file LICENSE_1_0.txt or copy at
# http://www.boost.org/LICENSE_1_0.txt)
# SPDX-License-Identifier: BSL-1.0
set(HEAD_HASH)
file(READ "@HEAD_FILE@" HEAD_CONTENTS LIMIT 1024)
string(STRIP "${HEAD_CONTENTS}" HEAD_CONTENTS)
if(HEAD_CONTENTS MATCHES "ref")
# named branch
string(REPLACE "ref: " "" HEAD_REF "${HEAD_CONTENTS}")
if(EXISTS "@GIT_DIR@/${HEAD_REF}")
configure_file("@GIT_DIR@/${HEAD_REF}" "@GIT_DATA@/head-ref" COPYONLY)
else()
configure_file("@GIT_DIR@/packed-refs" "@GIT_DATA@/packed-refs" COPYONLY)
file(READ "@GIT_DATA@/packed-refs" PACKED_REFS)
if(${PACKED_REFS} MATCHES "([0-9a-z]*) ${HEAD_REF}")
set(HEAD_HASH "${CMAKE_MATCH_1}")
endif()
endif()
else()
# detached HEAD
configure_file("@GIT_DIR@/HEAD" "@GIT_DATA@/head-ref" COPYONLY)
endif()
if(NOT HEAD_HASH)
file(READ "@GIT_DATA@/head-ref" HEAD_HASH LIMIT 1024)
string(STRIP "${HEAD_HASH}" HEAD_HASH)
endif()

81
cmake/VersionString.cmake Normal file
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@@ -0,0 +1,81 @@
# SPDX-License-Identifier: BSD-2-Clause
# Copyright (c) 2021 NKI/AVL, Netherlands Cancer Institute
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
# 1. Redistributions of source code must retain the above copyright notice, this
# list of conditions and the following disclaimer
# 2. Redistributions in binary form must reproduce the above copyright notice,
# this list of conditions and the following disclaimer in the documentation
# and/or other materials provided with the distribution.
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
# ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
# WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
# ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
# (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
# LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
# ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
cmake_minimum_required(VERSION 3.15)
# Create a revision file, containing the current git version info, if any
function(write_version_header dir)
# parameter check
if(NOT IS_DIRECTORY ${dir})
message(FATAL_ERROR "First parameter to write_version_header should be a directory where the final revision.hpp file will be placed")
endif()
include(GetGitRevisionDescription)
if(NOT(GIT-NOTFOUND OR HEAD-HASH-NOTFOUND))
git_describe_working_tree(BUILD_VERSION_STRING --match=build --dirty)
if(BUILD_VERSION_STRING MATCHES "build-([0-9]+)-g([0-9a-f]+)(-dirty)?")
set(BUILD_GIT_TAGREF "${CMAKE_MATCH_2}")
if(CMAKE_MATCH_3)
set(BUILD_VERSION_STRING "${CMAKE_MATCH_1}*")
else()
set(BUILD_VERSION_STRING "${CMAKE_MATCH_1}")
endif()
endif()
else()
message(WARNING "no git info available, cannot update version string")
endif()
string(TIMESTAMP BUILD_DATE_TIME "%Y-%m-%dT%H:%M:%SZ" UTC)
if(ARGC GREATER 1)
set(VAR_PREFIX "${ARGV1}")
endif()
file(WRITE "${PROJECT_BINARY_DIR}/revision.hpp.in" [[// Generated revision file
#pragma once
#include <ostream>
const char k@VAR_PREFIX@ProjectName[] = "@PROJECT_NAME@";
const char k@VAR_PREFIX@VersionNumber[] = "@PROJECT_VERSION@";
const char k@VAR_PREFIX@VersionGitTag[] = "@BUILD_GIT_TAGREF@";
const char k@VAR_PREFIX@BuildInfo[] = "@BUILD_VERSION_STRING@";
const char k@VAR_PREFIX@BuildDate[] = "@BUILD_DATE_TIME@";
inline void write_version_string(std::ostream &os, bool verbose)
{
os << k@VAR_PREFIX@ProjectName << " version " << k@VAR_PREFIX@VersionNumber << std::endl;
if (verbose)
{
os << "build: " << k@VAR_PREFIX@BuildInfo << ' ' << k@VAR_PREFIX@BuildDate << std::endl;
if (k@VAR_PREFIX@VersionGitTag[0] != 0)
os << "git tag: " << k@VAR_PREFIX@VersionGitTag << std::endl;
}
}
]])
configure_file("${PROJECT_BINARY_DIR}/revision.hpp.in" "${dir}/revision.hpp" @ONLY)
endfunction()

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@@ -0,0 +1,15 @@
@PACKAGE_INIT@
include(CMakeFindDependencyMacro)
find_dependency(Threads)
find_dependency(ZLIB REQUIRED)
find_dependency(LibLZMA REQUIRED)
INCLUDE("${CMAKE_CURRENT_LIST_DIR}/cifppTargets.cmake")
set_and_check(CIFPP_INCLUDE_DIR "@PACKAGE_INCLUDE_INSTALL_DIR@")
set_and_check(CIFPP_LIBRARY_DIR "@PACKAGE_LIBRARY_INSTALL_DIR@")
set_and_check(CIFPP_SHARE_DIR "@PACKAGE_SHARE_INSTALL_DIR@")
check_required_components(cifpp)

18
cmake/test-rx.cpp Normal file
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@@ -0,0 +1,18 @@
// See: https://gcc.gnu.org/bugzilla/show_bug.cgi?id=86164
#include <iostream>
#include <regex>
int main()
{
std::string s(100'000, '*');
std::smatch m;
std::regex r("^(.*?)$");
std::regex_search(s, m, r);
std::cout << s.substr(0, 10) << std::endl;
std::cout << m.str(1).substr(0, 10) << std::endl;
return 0;
}

2715
data/ccd-subset.cif Normal file

File diff suppressed because it is too large Load Diff

BIN
examples/1cbs.cif.gz Normal file

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27
examples/example.cpp Normal file
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@@ -0,0 +1,27 @@
#include <iostream>
#include <filesystem>
#include <cif++.hpp>
namespace fs = std::filesystem;
int main()
{
cif::file file;
file.load("1cbs.cif.gz");
auto& db = file.front();
auto &atom_site = db["atom_site"];
auto n = atom_site.find(cif::key("label_atom_id") == "OXT").size();
std::cout << "File contains " << atom_site.size() << " atoms of which " << n << (n == 1 ? " is" : " are") << " OXT" << std::endl
<< "residues with an OXT are:" << std::endl;
for (const auto& [asym, comp, seqnr]: atom_site.find<std::string,std::string,int>(
cif::key("label_atom_id") == "OXT", "label_asym_id", "label_comp_id", "label_seq_id"))
{
std::cout << asym << ' ' << comp << ' ' << seqnr << std::endl;
}
return 0;
}

8
examples/makefile Normal file
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@@ -0,0 +1,8 @@
CXX = c++ -std=c++17
CXXFLAGS = $(shell pkg-config --cflags libcifpp)
LIBS = $(shell pkg-config --libs libcifpp)
all: example
example: example.cpp
$(CXX) -o $@ $? $(CXXFLAGS) $(LIBS)

40
include/cif++.hpp Normal file
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@@ -0,0 +1,40 @@
/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/utilities.hpp>
#include <cif++/file.hpp>
#include <cif++/parser.hpp>
#include <cif++/format.hpp>
#include <cif++/compound.hpp>
#include <cif++/point.hpp>
#include <cif++/symmetry.hpp>
#include <cif++/model.hpp>
#include <cif++/pdb/io.hpp>

277
include/cif++/atom_type.hpp Normal file
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@@ -0,0 +1,277 @@
/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
// Lib for working with structures as contained in mmCIF and PDB files
#pragma once
#include <cstdint>
#include <stdexcept>
#include <string>
namespace cif
{
enum atom_type : uint8_t
{
Nn = 0, // Unknown
H = 1, // Hydro­gen
He = 2, // He­lium
Li = 3, // Lith­ium
Be = 4, // Beryl­lium
B = 5, // Boron
C = 6, // Carbon
N = 7, // Nitro­gen
O = 8, // Oxy­gen
F = 9, // Fluor­ine
Ne = 10, // Neon
Na = 11, // So­dium
Mg = 12, // Magne­sium
Al = 13, // Alumin­ium
Si = 14, // Sili­con
P = 15, // Phos­phorus
S = 16, // Sulfur
Cl = 17, // Chlor­ine
Ar = 18, // Argon
K = 19, // Potas­sium
Ca = 20, // Cal­cium
Sc = 21, // Scan­dium
Ti = 22, // Tita­nium
V = 23, // Vana­dium
Cr = 24, // Chrom­ium
Mn = 25, // Manga­nese
Fe = 26, // Iron
Co = 27, // Cobalt
Ni = 28, // Nickel
Cu = 29, // Copper
Zn = 30, // Zinc
Ga = 31, // Gallium
Ge = 32, // Germa­nium
As = 33, // Arsenic
Se = 34, // Sele­nium
Br = 35, // Bromine
Kr = 36, // Kryp­ton
Rb = 37, // Rubid­ium
Sr = 38, // Stront­ium
Y = 39, // Yttrium
Zr = 40, // Zirco­nium
Nb = 41, // Nio­bium
Mo = 42, // Molyb­denum
Tc = 43, // Tech­netium
Ru = 44, // Ruthe­nium
Rh = 45, // Rho­dium
Pd = 46, // Pallad­ium
Ag = 47, // Silver
Cd = 48, // Cad­mium
In = 49, // Indium
Sn = 50, // Tin
Sb = 51, // Anti­mony
Te = 52, // Tellurium
I = 53, // Iodine
Xe = 54, // Xenon
Cs = 55, // Cae­sium
Ba = 56, // Ba­rium
La = 57, // Lan­thanum
Hf = 72, // Haf­nium
Ta = 73, // Tanta­lum
W = 74, // Tung­sten
Re = 75, // Rhe­nium
Os = 76, // Os­mium
Ir = 77, // Iridium
Pt = 78, // Plat­inum
Au = 79, // Gold
Hg = 80, // Mer­cury
Tl = 81, // Thallium
Pb = 82, // Lead
Bi = 83, // Bis­muth
Po = 84, // Polo­nium
At = 85, // Asta­tine
Rn = 86, // Radon
Fr = 87, // Fran­cium
Ra = 88, // Ra­dium
Ac = 89, // Actin­ium
Rf = 104, // Ruther­fordium
Db = 105, // Dub­nium
Sg = 106, // Sea­borgium
Bh = 107, // Bohr­ium
Hs = 108, // Has­sium
Mt = 109, // Meit­nerium
Ds = 110, // Darm­stadtium
Rg = 111, // Roent­genium
Cn = 112, // Coper­nicium
Nh = 113, // Nihon­ium
Fl = 114, // Flerov­ium
Mc = 115, // Moscov­ium
Lv = 116, // Liver­morium
Ts = 117, // Tenness­ine
Og = 118, // Oga­nesson
Ce = 58, // Cerium
Pr = 59, // Praseo­dymium
Nd = 60, // Neo­dymium
Pm = 61, // Prome­thium
Sm = 62, // Sama­rium
Eu = 63, // Europ­ium
Gd = 64, // Gadolin­ium
Tb = 65, // Ter­bium
Dy = 66, // Dyspro­sium
Ho = 67, // Hol­mium
Er = 68, // Erbium
Tm = 69, // Thulium
Yb = 70, // Ytter­bium
Lu = 71, // Lute­tium
Th = 90, // Thor­ium
Pa = 91, // Protac­tinium
U = 92, // Ura­nium
Np = 93, // Neptu­nium
Pu = 94, // Pluto­nium
Am = 95, // Ameri­cium
Cm = 96, // Curium
Bk = 97, // Berkel­ium
Cf = 98, // Califor­nium
Es = 99, // Einstei­nium
Fm = 100, // Fer­mium
Md = 101, // Mende­levium
No = 102, // Nobel­ium
Lr = 103, // Lawren­cium
D = 119, // Deuterium
};
// --------------------------------------------------------------------
// atom_type_info
enum class radius_type
{
calculated,
empirical,
covalent_empirical,
single_bond,
double_bond,
triple_bond,
van_der_waals,
type_count
};
constexpr size_t kRadiusTypeCount = static_cast<size_t>(radius_type::type_count);
enum class ionic_radius_type
{
effective, crystal
};
struct atom_type_info
{
atom_type type;
std::string name;
std::string symbol;
float weight;
bool metal;
float radii[kRadiusTypeCount];
};
extern const atom_type_info kKnownAtoms[];
// --------------------------------------------------------------------
// AtomTypeTraits
class atom_type_traits
{
public:
atom_type_traits(atom_type a);
atom_type_traits(const std::string &symbol);
atom_type type() const { return m_info->type; }
std::string name() const { return m_info->name; }
std::string symbol() const { return m_info->symbol; }
float weight() const { return m_info->weight; }
bool is_metal() const { return m_info->metal; }
static bool is_element(const std::string &symbol);
static bool is_metal(const std::string &symbol);
float radius(radius_type type = radius_type::single_bond) const
{
if (type >= radius_type::type_count)
throw std::invalid_argument("invalid radius requested");
return m_info->radii[static_cast<size_t>(type)] / 100.f;
}
/// \brief Return the radius for a charged version of this atom in a solid crystal
///
/// \param charge The charge of the ion
/// \return The radius of the ion
float crystal_ionic_radius(int charge) const;
/// \brief Return the radius for a charged version of this atom in a non-solid environment
///
/// \param charge The charge of the ion
/// \return The radius of the ion
float effective_ionic_radius(int charge) const;
/// \brief Return the radius for a charged version of this atom, returns the effective radius by default
///
/// \param charge The charge of the ion
/// \return The radius of the ion
float ionic_radius(int charge, ionic_radius_type type = ionic_radius_type::effective) const
{
return type == ionic_radius_type::effective ? effective_ionic_radius(charge) : crystal_ionic_radius(charge);
}
// data type encapsulating the Waasmaier & Kirfel scattering factors
// in a simplified form (only a and b).
// Added the electrion scattering factors as well
struct SFData
{
double a[6], b[6];
};
// to get the Cval and Siva values, use this constant as charge:
enum
{
kWKSFVal = -99
};
const SFData &wksf(int charge = 0) const;
const SFData &elsf() const;
private:
const struct atom_type_info *m_info;
};
} // namespace pdbx

598
include/cif++/category.hpp Normal file
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@@ -0,0 +1,598 @@
/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <array>
#include <cif++/forward_decl.hpp>
#include <cif++/condition.hpp>
#include <cif++/iterator.hpp>
#include <cif++/row.hpp>
#include <cif++/validate.hpp>
// TODO: implement all of:
// https://en.cppreference.com/w/cpp/named_req/Container
// https://en.cppreference.com/w/cpp/named_req/SequenceContainer
// and more?
namespace cif
{
// --------------------------------------------------------------------
// special exception
class duplicate_key_error : public std::runtime_error
{
public:
duplicate_key_error(const std::string &msg)
: std::runtime_error(msg) {}
};
// --------------------------------------------------------------------
class category
{
public:
friend class row_handle;
template <typename, typename...>
friend class iterator_impl;
using value_type = row_handle;
using reference = value_type;
using const_reference = const value_type;
using iterator = iterator_impl<category>;
using const_iterator = iterator_impl<const category>;
category() = default;
category(std::string_view name);
category(const category &rhs);
category(category &&rhs);
category &operator=(const category &rhs);
category &operator=(category &&rhs);
~category();
// --------------------------------------------------------------------
const std::string &name() const { return m_name; }
iset key_fields() const;
std::set<uint16_t> key_field_indices() const;
void set_validator(const validator *v, datablock &db);
void update_links(datablock &db);
const validator *get_validator() const { return m_validator; }
const category_validator *get_cat_validator() const { return m_cat_validator; }
bool is_valid() const;
bool validate_links() const;
bool operator==(const category &rhs) const;
bool operator!=(const category &rhs) const
{
return not operator==(rhs);
}
// --------------------------------------------------------------------
reference front()
{
return {*this, *m_head};
}
const_reference front() const
{
return {const_cast<category &>(*this), const_cast<row &>(*m_head)};
}
reference back()
{
return {*this, *m_tail};
}
const_reference back() const
{
return {const_cast<category &>(*this), const_cast<row &>(*m_tail)};
}
iterator begin()
{
return {*this, m_head};
}
iterator end()
{
return {*this, nullptr};
}
const_iterator begin() const
{
return {*this, m_head};
}
const_iterator end() const
{
return {*this, nullptr};
}
const_iterator cbegin() const
{
return {*this, m_head};
}
const_iterator cend() const
{
return {*this, nullptr};
}
size_t size() const
{
return std::distance(cbegin(), cend());
}
bool empty() const
{
return m_head == nullptr;
}
// --------------------------------------------------------------------
// A category can have a key, as defined by the validator/dictionary
/// @brief The key type
using key_type = row_initializer;
/// @brief Return a row_handle for the row specified by \a key
/// @param key The value for the key, fields specified in the dictionary should have a value
/// @return The row found in the index, or an undefined row_handle
row_handle operator[](const key_type &key);
const row_handle operator[](const key_type &key) const
{
return const_cast<category *>(this)->operator[](key);
}
// --------------------------------------------------------------------
template <typename... Ts, typename... Ns>
iterator_proxy<const category, Ts...> rows(Ns... names) const
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return iterator_proxy<const category, Ts...>(*this, begin(), {names...});
}
template <typename... Ts, typename... Ns>
iterator_proxy<category, Ts...> rows(Ns... names)
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return iterator_proxy<category, Ts...>(*this, begin(), {names...});
}
// --------------------------------------------------------------------
conditional_iterator_proxy<category> find(condition &&cond)
{
return find(begin(), std::forward<condition>(cond));
}
conditional_iterator_proxy<category> find(iterator pos, condition &&cond)
{
return {*this, pos, std::forward<condition>(cond)};
}
conditional_iterator_proxy<const category> find(condition &&cond) const
{
return find(cbegin(), std::forward<condition>(cond));
}
conditional_iterator_proxy<const category> find(const_iterator pos, condition &&cond) const
{
return conditional_iterator_proxy<const category>{*this, pos, std::forward<condition>(cond)};
}
template <typename... Ts, typename... Ns>
conditional_iterator_proxy<category, Ts...> find(condition &&cond, Ns... names)
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return find<Ts...>(cbegin(), std::forward<condition>(cond), std::forward<Ns>(names)...);
}
template <typename... Ts, typename... Ns>
conditional_iterator_proxy<const category, Ts...> find(condition &&cond, Ns... names) const
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return find<Ts...>(cbegin(), std::forward<condition>(cond), std::forward<Ns>(names)...);
}
template <typename... Ts, typename... Ns>
conditional_iterator_proxy<category, Ts...> find(const_iterator pos, condition &&cond, Ns... names)
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return {*this, pos, std::forward<condition>(cond), std::forward<Ns>(names)...};
}
template <typename... Ts, typename... Ns>
conditional_iterator_proxy<const category, Ts...> find(const_iterator pos, condition &&cond, Ns... names) const
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "The number of column titles should be equal to the number of types to return");
return {*this, pos, std::forward<condition>(cond), std::forward<Ns>(names)...};
}
// --------------------------------------------------------------------
// if you only expect a single row
row_handle find1(condition &&cond)
{
return find1(begin(), std::forward<condition>(cond));
}
row_handle find1(iterator pos, condition &&cond)
{
auto h = find(pos, std::forward<condition>(cond));
return h.size() != 1 ? row_handle{} : *h.begin();
}
const row_handle find1(condition &&cond) const
{
return find1(cbegin(), std::forward<condition>(cond));
}
const row_handle find1(const_iterator pos, condition &&cond) const
{
auto h = find(pos, std::forward<condition>(cond));
return h.size() != 1 ? row_handle{} : *h.begin();
}
template <typename T>
T find1(condition &&cond, const char *column) const
{
return find1<T>(cbegin(), std::forward<condition>(cond), column);
}
template <typename T>
T find1(const_iterator pos, condition &&cond, const char *column) const
{
auto h = find<T>(pos, std::forward<condition>(cond), column);
return h.size() == 1 ? *h.begin() : T{};
}
template <typename... Ts, typename... Cs, typename U = std::enable_if_t<sizeof...(Ts) != 1>>
std::tuple<Ts...> find1(condition &&cond, Cs... columns) const
{
static_assert(sizeof...(Ts) == sizeof...(Cs), "The number of column titles should be equal to the number of types to return");
// static_assert(std::is_same_v<Cs, const char*>..., "The column names should be const char");
return find1<Ts...>(cbegin(), std::forward<condition>(cond), std::forward<Cs>(columns)...);
}
template <typename... Ts, typename... Cs, typename U = std::enable_if_t<sizeof...(Ts) != 1>>
std::tuple<Ts...> find1(const_iterator pos, condition &&cond, Cs... columns) const
{
static_assert(sizeof...(Ts) == sizeof...(Cs), "The number of column titles should be equal to the number of types to return");
auto h = find<Ts...>(pos, std::forward<condition>(cond), std::forward<Cs>(columns)...);
return h.size() == 1 ? *h.begin() : std::tuple<Ts...>{};
}
bool exists(condition &&cond) const
{
bool result = false;
if (cond)
{
cond.prepare(*this);
auto sh = cond.single();
if (sh.has_value() and *sh)
result = true;
else
{
for (auto r : *this)
{
if (cond(r))
{
result = true;
break;
}
}
}
}
return result;
}
// --------------------------------------------------------------------
bool has_children(row_handle r) const;
bool has_parents(row_handle r) const;
std::vector<row_handle> get_children(row_handle r, const category &childCat) const;
std::vector<row_handle> get_parents(row_handle r, const category &parentCat) const;
std::vector<row_handle> get_linked(row_handle r, const category &cat) const;
// --------------------------------------------------------------------
// void insert(const_iterator pos, const row_initializer &row)
// {
// insert_impl(pos, row);
// }
// void insert(const_iterator pos, row_initializer &&row)
// {
// insert_impl(pos, std::move(row));
// }
iterator erase(iterator pos);
void erase(row_handle rh)
{
erase(iterator(*this, rh.m_row));
}
size_t erase(condition &&cond);
size_t erase(condition &&cond, std::function<void(row_handle)> &&visit);
iterator emplace(row_initializer &&ri)
{
return this->emplace(ri.begin(), ri.end());
}
template <typename ItemIter>
iterator emplace(ItemIter b, ItemIter e)
{
row *r = this->create_row();
try
{
for (auto i = b; i != e; ++i)
{
// item_value *new_item = this->create_item(*i);
r->append(add_column(i->name()), { i->value() });
}
}
catch (...)
{
if (r != nullptr)
this->delete_row(r);
throw;
}
return insert_impl(cend(), r);
}
void clear();
// --------------------------------------------------------------------
/// \brief generate a new, unique ID. Pass it an ID generating function
/// based on a sequence number. This function will be called until the
/// result is unique in the context of this category
std::string get_unique_id(std::function<std::string(int)> generator = cif::cif_id_for_number);
std::string get_unique_id(const std::string &prefix)
{
return get_unique_id([prefix](int nr)
{ return prefix + std::to_string(nr + 1); });
}
// --------------------------------------------------------------------
/// \brief Rename a single column in the rows that match \a cond to value \a value
/// making sure the linked categories are updated according to the link.
/// That means, child categories are updated if the links are absolute
/// and unique. If they are not, the child category rows are split.
void update_value(condition &&cond, std::string_view tag, std::string_view value)
{
auto rs = find(std::move(cond));
std::vector<row_handle> rows;
std::copy(rs.begin(), rs.end(), std::back_inserter(rows));
update_value(rows, tag, value);
}
void update_value(const std::vector<row_handle> &rows, std::string_view tag, std::string_view value);
// --------------------------------------------------------------------
/// \brief Return the index number for \a column_name
uint16_t get_column_ix(std::string_view column_name) const
{
uint16_t result;
for (result = 0; result < m_columns.size(); ++result)
{
if (iequals(column_name, m_columns[result].m_name))
break;
}
if (VERBOSE > 0 and result == m_columns.size() and m_cat_validator != nullptr) // validate the name, if it is known at all (since it was not found)
{
auto iv = m_cat_validator->get_validator_for_item(column_name);
if (iv == nullptr)
std::cerr << "Invalid name used '" << column_name << "' is not a known column in " + m_name << std::endl;
}
return result;
}
std::string_view get_column_name(uint16_t ix) const
{
if (ix >= m_columns.size())
throw std::out_of_range("column index is out of range");
return m_columns[ix].m_name;
}
uint16_t add_column(std::string_view column_name)
{
using namespace std::literals;
uint16_t result = get_column_ix(column_name);
if (result == m_columns.size())
{
const item_validator *item_validator = nullptr;
if (m_cat_validator != nullptr)
{
item_validator = m_cat_validator->get_validator_for_item(column_name);
if (item_validator == nullptr)
m_validator->report_error("tag " + std::string(column_name) + " not allowed in category " + m_name, false);
}
m_columns.emplace_back(column_name, item_validator);
}
return result;
}
bool has_column(std::string_view name) const
{
return get_column_ix(name) < m_columns.size();
}
iset get_columns() const;
// --------------------------------------------------------------------
void sort(std::function<int(row_handle,row_handle)> f);
void reorder_by_index();
// --------------------------------------------------------------------
std::vector<std::string> get_tag_order() const;
void write(std::ostream &os) const;
void write(std::ostream &os, const std::vector<std::string> &order, bool addMissingColumns = true);
private:
void write(std::ostream &os, const std::vector<uint16_t> &order, bool includeEmptyColumns) const;
public:
friend std::ostream &operator<<(std::ostream &os, const category &cat)
{
cat.write(os);
return os;
}
private:
void update_value(row *row, uint16_t column, std::string_view value, bool updateLinked, bool validate = true);
private:
void erase_orphans(condition &&cond, category &parent);
using allocator_type = std::allocator<void>;
constexpr allocator_type get_allocator() const
{
return {};
}
using char_allocator_type = typename std::allocator_traits<allocator_type>::template rebind_alloc<char>;
using char_allocator_traits = std::allocator_traits<char_allocator_type>;
using row_allocator_type = typename std::allocator_traits<allocator_type>::template rebind_alloc<row>;
using row_allocator_traits = std::allocator_traits<row_allocator_type>;
row_allocator_traits::pointer get_row()
{
row_allocator_type ra(get_allocator());
return row_allocator_traits::allocate(ra, 1);
}
row *create_row()
{
auto p = this->get_row();
row_allocator_type ra(get_allocator());
row_allocator_traits::construct(ra, p);
return p;
}
row *clone_row(const row &r);
void delete_row(row *r);
row_handle create_copy(row_handle r);
struct item_column
{
std::string m_name;
const item_validator *m_validator;
item_column(std::string_view name, const item_validator *validator)
: m_name(name)
, m_validator(validator)
{
}
};
struct link
{
link(category *linked, const link_validator *v)
: linked(linked)
, v(v)
{
}
category *linked;
const link_validator *v;
};
// proxy methods for every insertion
iterator insert_impl(const_iterator pos, row *n);
iterator erase_impl(const_iterator pos);
// --------------------------------------------------------------------
condition get_parents_condition(row_handle rh, const category &parentCat) const;
condition get_children_condition(row_handle rh, const category &childCat) const;
// --------------------------------------------------------------------
void swap_item(uint16_t column_ix, row_handle &a, row_handle &b);
// --------------------------------------------------------------------
std::string m_name;
std::vector<item_column> m_columns;
const validator *m_validator = nullptr;
const category_validator *m_cat_validator = nullptr;
std::vector<link> m_parent_links, m_child_links;
bool m_cascade = true;
uint32_t m_last_unique_num = 0;
class category_index *m_index = nullptr;
row *m_head = nullptr, *m_tail = nullptr;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020-2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
/// \file This file contains the definition for the class compound, encapsulating
/// the information found for compounds in the CCD.
#include <map>
#include <set>
#include <tuple>
#include <vector>
#include <cif++.hpp>
#include <cif++/atom_type.hpp>
namespace cif
{
// --------------------------------------------------------------------
class compound;
struct compound_atom;
class compound_factory_impl;
/// \brief The bond type as defined in the CCD, possible values taken from the mmcif_pdbx file
enum class bond_type
{
sing, // 'single bond'
doub, // 'double bond'
trip, // 'triple bond'
quad, // 'quadruple bond'
arom, // 'aromatic bond'
poly, // 'polymeric bond'
delo, // 'delocalized double bond'
pi, // 'pi bond'
};
std::string to_string(bond_type bondType);
bond_type from_string(const std::string &bondType);
/// --------------------------------------------------------------------
/// \brief struct containing information about an atom in a chemical compound.
/// This is a subset of the available information. Contact the author if you need more fields.
struct compound_atom
{
std::string id;
atom_type type_symbol;
int charge = 0;
bool aromatic = false;
bool leaving_atom = false;
bool stereo_config = false;
float x, y, z;
};
/// --------------------------------------------------------------------
/// \brief struct containing information about the bonds
struct compound_bond
{
std::string atom_id[2];
bond_type type;
bool aromatic = false, stereo_config = false;
};
/// --------------------------------------------------------------------
/// \brief a class that contains information about a chemical compound.
/// This information is derived from the CDD by default.
///
/// To create compounds, you use the factory method. You can add your own
/// compound definitions by calling the addExtraComponents function and
/// pass it a valid CCD formatted file.
class compound
{
public:
// accessors
std::string id() const { return m_id; }
std::string name() const { return m_name; }
std::string type() const { return m_type; }
std::string group() const { return m_group; }
std::string formula() const { return m_formula; }
float formula_weight() const { return m_formula_weight; }
int formal_charge() const { return m_formal_charge; }
const std::vector<compound_atom> &atoms() const { return m_atoms; }
const std::vector<compound_bond> &bonds() const { return m_bonds; }
compound_atom get_atom_by_atom_id(const std::string &atom_id) const;
bool atoms_bonded(const std::string &atomId_1, const std::string &atomId_2) const;
bool is_water() const
{
return m_id == "HOH" or m_id == "H2O" or m_id == "WAT";
}
private:
friend class compound_factory_impl;
friend class CCD_compound_factory_impl;
friend class CCP4_compound_factory_impl;
compound(cif::datablock &db);
compound(cif::datablock &db, const std::string &id, const std::string &name, const std::string &type, const std::string &group);
std::string m_id;
std::string m_name;
std::string m_type;
std::string m_group;
std::string m_formula;
float m_formula_weight = 0;
int m_formal_charge = 0;
std::vector<compound_atom> m_atoms;
std::vector<compound_bond> m_bonds;
};
// --------------------------------------------------------------------
// Factory class for compound and Link objects
class compound_factory
{
public:
/// \brief Initialise a singleton instance.
///
/// If you have a multithreaded application and want to have different
/// compounds in each thread (e.g. a web service processing user requests
/// with different sets of compounds) you can set the \a useThreadLocalInstanceOnly
/// flag to true.
static void init(bool useThreadLocalInstanceOnly);
static compound_factory &instance();
static void clear();
void set_default_dictionary(const std::filesystem::path &inDictFile);
void push_dictionary(const std::filesystem::path &inDictFile);
void pop_dictionary();
bool is_known_peptide(const std::string &res_name) const;
bool is_known_base(const std::string &res_name) const;
/// \brief Create the compound object for \a id
///
/// This will create the compound instance for \a id if it doesn't exist already.
/// The result is owned by this factory and should not be deleted by the user.
/// \param id The compound ID, a three letter code usually
/// \result The compound, or nullptr if it could not be created (missing info)
const compound *create(std::string id);
~compound_factory();
static const std::map<std::string, char> kAAMap, kBaseMap;
private:
compound_factory();
compound_factory(const compound_factory &) = delete;
compound_factory &operator=(const compound_factory &) = delete;
static std::unique_ptr<compound_factory> s_instance;
static thread_local std::unique_ptr<compound_factory> tl_instance;
static bool s_use_thread_local_instance;
std::shared_ptr<compound_factory_impl> m_impl;
};
} // namespace pdbx

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cassert>
#include <functional>
#include <iostream>
#include <regex>
#include <utility>
#include <cif++/row.hpp>
namespace cif
{
// --------------------------------------------------------------------
// let's make life easier
iset get_category_fields(const category &cat);
uint16_t get_column_ix(const category &cat, std::string_view col);
bool is_column_type_uchar(const category &cat, std::string_view col);
// --------------------------------------------------------------------
// some more templates to be able to do querying
namespace detail
{
struct condition_impl
{
virtual ~condition_impl() {}
virtual condition_impl *prepare(const category &) { return this; }
virtual bool test(row_handle) const = 0;
virtual void str(std::ostream &) const = 0;
virtual std::optional<row_handle> single() const { return {}; };
};
struct all_condition_impl : public condition_impl
{
bool test(row_handle) const override { return true; }
void str(std::ostream &os) const override { os << "*"; }
};
struct or_condition_impl;
struct and_condition_impl;
struct not_condition_impl;
} // namespace detail
class condition
{
public:
using condition_impl = detail::condition_impl;
condition()
: m_impl(nullptr)
{
}
explicit condition(condition_impl *impl)
: m_impl(impl)
{
}
condition(const condition &) = delete;
condition(condition &&rhs) noexcept
: m_impl(nullptr)
{
std::swap(m_impl, rhs.m_impl);
}
condition &operator=(const condition &) = delete;
condition &operator=(condition &&rhs) noexcept
{
std::swap(m_impl, rhs.m_impl);
return *this;
}
~condition()
{
delete m_impl;
m_impl = nullptr;
}
void prepare(const category &c);
bool operator()(row_handle r) const
{
assert(this->m_impl != nullptr);
assert(this->m_prepared);
return m_impl ? m_impl->test(r) : false;
}
explicit operator bool() { return not empty(); }
bool empty() const { return m_impl == nullptr; }
std::optional<row_handle> single() const
{
return m_impl ? m_impl->single() : std::optional<row_handle>();
}
friend condition operator||(condition &&a, condition &&b);
friend condition operator&&(condition &&a, condition &&b);
friend struct detail::or_condition_impl;
friend struct detail::and_condition_impl;
friend struct detail::not_condition_impl;
void swap(condition &rhs)
{
std::swap(m_impl, rhs.m_impl);
std::swap(m_prepared, rhs.m_prepared);
}
friend std::ostream &operator<<(std::ostream &os, const condition &cond)
{
if (cond.m_impl)
cond.m_impl->str(os);
return os;
}
private:
void optimise(condition_impl *&impl);
condition_impl *m_impl;
bool m_prepared = false;
};
namespace detail
{
struct key_is_empty_condition_impl : public condition_impl
{
key_is_empty_condition_impl(const std::string &item_tag)
: m_item_tag(item_tag)
{
}
condition_impl *prepare(const category &c) override
{
m_item_ix = get_column_ix(c, m_item_tag);
return this;
}
bool test(row_handle r) const override
{
return r[m_item_ix].empty();
}
void str(std::ostream &os) const override
{
os << m_item_tag << " IS NULL";
}
std::string m_item_tag;
uint16_t m_item_ix = 0;
};
struct key_equals_condition_impl : public condition_impl
{
key_equals_condition_impl(item &&i)
: m_item_tag(i.name())
, m_value(i.value())
{
}
condition_impl *prepare(const category &c) override;
bool test(row_handle r) const override
{
return m_single_hit.has_value() ?
*m_single_hit == r :
r[m_item_ix].compare(m_value, m_icase) == 0;
}
void str(std::ostream &os) const override
{
os << m_item_tag << (m_icase ? "^ " : " ") << " == " << m_value;
}
virtual std::optional<row_handle> single() const override
{
return m_single_hit;
}
std::string m_item_tag;
uint16_t m_item_ix = 0;
bool m_icase = false;
std::string m_value;
std::optional<row_handle> m_single_hit;
};
struct key_equals_or_empty_condition_impl : public condition_impl
{
key_equals_or_empty_condition_impl(key_equals_condition_impl *equals)
: m_item_tag(equals->m_item_tag)
, m_value(equals->m_value)
, m_icase(equals->m_icase)
, m_single_hit(equals->m_single_hit)
{
}
condition_impl *prepare(const category &c) override
{
m_item_ix = get_column_ix(c, m_item_tag);
m_icase = is_column_type_uchar(c, m_item_tag);
return this;
}
bool test(row_handle r) const override
{
bool result = false;
if (m_single_hit.has_value())
result = *m_single_hit == r;
else
result = r[m_item_ix].empty() or r[m_item_ix].compare(m_value, m_icase) == 0;
return result;
}
void str(std::ostream &os) const override
{
os << m_item_tag << (m_icase ? "^ " : " ") << " == " << m_value << " OR " << m_item_tag << " IS NULL";
}
virtual std::optional<row_handle> single() const override
{
return m_single_hit;
}
std::string m_item_tag;
uint16_t m_item_ix = 0;
std::string m_value;
bool m_icase = false;
std::optional<row_handle> m_single_hit;
};
struct key_compare_condition_impl : public condition_impl
{
template <typename COMP>
key_compare_condition_impl(const std::string &item_tag, COMP &&comp, const std::string &s)
: m_item_tag(item_tag)
, m_compare(std::move(comp))
, m_str(s)
{
}
condition_impl *prepare(const category &c) override
{
m_item_ix = get_column_ix(c, m_item_tag);
m_icase = is_column_type_uchar(c, m_item_tag);
return this;
}
bool test(row_handle r) const override
{
return m_compare(r, m_icase);
}
void str(std::ostream &os) const override
{
os << m_item_tag << (m_icase ? "^ " : " ") << m_str;
}
std::string m_item_tag;
uint16_t m_item_ix = 0;
bool m_icase = false;
std::function<bool(row_handle, bool)> m_compare;
std::string m_str;
};
struct key_matches_condition_impl : public condition_impl
{
key_matches_condition_impl(const std::string &item_tag, const std::regex &rx)
: m_item_tag(item_tag)
, m_item_ix(0)
, mRx(rx)
{
}
condition_impl *prepare(const category &c) override
{
m_item_ix = get_column_ix(c, m_item_tag);
return this;
}
bool test(row_handle r) const override
{
std::string_view txt = r[m_item_ix].text();
return std::regex_match(txt.begin(), txt.end(), mRx);
}
void str(std::ostream &os) const override
{
os << m_item_tag << " =~ expression";
}
std::string m_item_tag;
uint16_t m_item_ix;
std::regex mRx;
};
template <typename T>
struct any_is_condition_impl : public condition_impl
{
typedef T valueType;
any_is_condition_impl(const valueType &value)
: mValue(value)
{
}
bool test(row_handle r) const override
{
auto &c = r.get_category();
bool result = false;
for (auto &f : get_category_fields(c))
{
try
{
if (r[f].compare(mValue) == 0)
{
result = true;
break;
}
}
catch (...)
{
}
}
return result;
}
void str(std::ostream &os) const override
{
os << "<any> == " << mValue;
}
valueType mValue;
};
struct any_matches_condition_impl : public condition_impl
{
any_matches_condition_impl(const std::regex &rx)
: mRx(rx)
{
}
bool test(row_handle r) const override
{
auto &c = r.get_category();
bool result = false;
for (auto &f : get_category_fields(c))
{
try
{
std::string_view txt = r[f].text();
if (std::regex_match(txt.begin(), txt.end(), mRx))
{
result = true;
break;
}
}
catch (...)
{
}
}
return result;
}
void str(std::ostream &os) const override
{
os << "<any> =~ expression";
}
std::regex mRx;
};
// TODO: Optimize and_condition by having a list of sub items.
// That way you can also collapse multiple _is_ conditions in
// case they make up an indexed tuple.
struct and_condition_impl : public condition_impl
{
and_condition_impl(condition &&a, condition &&b)
{
mSub.emplace_back(std::exchange(a.m_impl, nullptr));
mSub.emplace_back(std::exchange(b.m_impl, nullptr));
}
~and_condition_impl()
{
for (auto sub : mSub)
delete sub;
}
condition_impl *prepare(const category &c) override;
bool test(row_handle r) const override
{
bool result = true;
for (auto sub : mSub)
{
if (sub->test(r))
continue;
result = false;
break;
}
return result;
}
void str(std::ostream &os) const override
{
os << '(';
bool first = true;
for (auto sub : mSub)
{
if (first)
first = false;
else
os << " AND ";
sub->str(os);
}
os << ')';
}
virtual std::optional<row_handle> single() const override
{
std::optional<row_handle> result;
for (auto sub : mSub)
{
auto s = sub->single();
if (not result.has_value())
{
result = s;
continue;
}
if (s == result)
continue;
result.reset();
break;
}
return result;
}
std::vector<condition_impl *> mSub;
};
struct or_condition_impl : public condition_impl
{
or_condition_impl(condition &&a, condition &&b)
: mA(nullptr)
, mB(nullptr)
{
std::swap(mA, a.m_impl);
std::swap(mB, b.m_impl);
}
~or_condition_impl()
{
delete mA;
delete mB;
}
condition_impl *prepare(const category &c) override;
bool test(row_handle r) const override
{
return mA->test(r) or mB->test(r);
}
void str(std::ostream &os) const override
{
os << '(';
mA->str(os);
os << ") OR (";
mB->str(os);
os << ')';
}
virtual std::optional<row_handle> single() const override
{
auto sa = mA->single();
auto sb = mB->single();
if (sa.has_value() and sb.has_value() and sa != sb)
sa.reset();
else if (not sa.has_value())
sa = sb;
return sa;
}
condition_impl *mA;
condition_impl *mB;
};
struct not_condition_impl : public condition_impl
{
not_condition_impl(condition &&a)
: mA(nullptr)
{
std::swap(mA, a.m_impl);
}
~not_condition_impl()
{
delete mA;
}
condition_impl *prepare(const category &c) override
{
mA = mA->prepare(c);
return this;
}
bool test(row_handle r) const override
{
return not mA->test(r);
}
void str(std::ostream &os) const override
{
os << "NOT (";
mA->str(os);
os << ')';
}
condition_impl *mA;
};
} // namespace detail
inline condition operator&&(condition &&a, condition &&b)
{
if (a.m_impl and b.m_impl)
return condition(new detail::and_condition_impl(std::move(a), std::move(b)));
if (a.m_impl)
return condition(std::move(a));
return condition(std::move(b));
}
inline condition operator||(condition &&a, condition &&b)
{
if (a.m_impl and b.m_impl)
return condition(new detail::or_condition_impl(std::move(a), std::move(b)));
if (a.m_impl)
return condition(std::move(a));
return condition(std::move(b));
}
struct empty_type
{
};
/// \brief A helper to make it possible to have conditions like ("id"_key == cif::null)
inline constexpr empty_type null = empty_type();
struct key
{
explicit key(const std::string &itemTag)
: m_item_tag(itemTag)
{
}
explicit key(const char *itemTag)
: m_item_tag(itemTag)
{
}
key(const key &) = delete;
key &operator=(const key &) = delete;
std::string m_item_tag;
};
template <typename T>
condition operator==(const key &key, const T &v)
{
return condition(new detail::key_equals_condition_impl({ key.m_item_tag, v }));
}
inline condition operator==(const key &key, const char *value)
{
if (value != nullptr and *value != 0)
return condition(new detail::key_equals_condition_impl({ key.m_item_tag, value }));
else
return condition(new detail::key_is_empty_condition_impl(key.m_item_tag));
}
// inline condition_t operator==(const key& key, const detail::ItemReference& v)
// {
// if (v.empty())
// return condition_t(new detail::key_is_empty_condition_impl(key.m_item_tag));
// else
// return condition_t(new detail::key_compare_condition_impl(key.m_item_tag, [tag = key.m_item_tag, v](const category& c, const row& r, bool icase)
// { return r[tag].template compare<(v, icase) == 0; }));
// }
template <typename T>
condition operator!=(const key &key, const T &v)
{
return condition(new detail::not_condition_impl(operator==(key, v)));
}
inline condition operator!=(const key &key, const char *v)
{
std::string value(v ? v : "");
return condition(new detail::not_condition_impl(operator==(key, value)));
}
template <typename T>
condition operator>(const key &key, const T &v)
{
std::ostringstream s;
s << " > " << v;
return condition(new detail::key_compare_condition_impl(
key.m_item_tag, [tag = key.m_item_tag, v](row_handle r, bool icase)
{ return r[tag].template compare<T>(v, icase) > 0; },
s.str()));
}
template <typename T>
condition operator>=(const key &key, const T &v)
{
std::ostringstream s;
s << " >= " << v;
return condition(new detail::key_compare_condition_impl(
key.m_item_tag, [tag = key.m_item_tag, v](row_handle r, bool icase)
{ return r[tag].template compare<T>(v, icase) >= 0; },
s.str()));
}
template <typename T>
condition operator<(const key &key, const T &v)
{
std::ostringstream s;
s << " < " << v;
return condition(new detail::key_compare_condition_impl(
key.m_item_tag, [tag = key.m_item_tag, v](row_handle r, bool icase)
{ return r[tag].template compare<T>(v, icase) < 0; },
s.str()));
}
template <typename T>
condition operator<=(const key &key, const T &v)
{
std::ostringstream s;
s << " <= " << v;
return condition(new detail::key_compare_condition_impl(
key.m_item_tag, [tag = key.m_item_tag, v](row_handle r, bool icase)
{ return r[tag].template compare<T>(v, icase) <= 0; },
s.str()));
}
inline condition operator==(const key &key, const std::regex &rx)
{
return condition(new detail::key_matches_condition_impl(key.m_item_tag, rx));
}
inline condition operator==(const key &key, const empty_type &)
{
return condition(new detail::key_is_empty_condition_impl(key.m_item_tag));
}
inline condition operator !(condition &&rhs)
{
return condition(new detail::not_condition_impl(std::move(rhs)));
}
struct any_type
{
};
inline constexpr any_type any = any_type{};
template <typename T>
condition operator==(const any_type &, const T &v)
{
return condition(new detail::any_is_condition_impl<T>(v));
}
inline condition operator==(const any_type &, const std::regex &rx)
{
return condition(new detail::any_matches_condition_impl(rx));
}
inline condition all()
{
return condition(new detail::all_condition_impl());
}
namespace literals
{
inline key operator""_key(const char *text, size_t length)
{
return key(std::string(text, length));
}
} // namespace literals
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/forward_decl.hpp>
#include <cif++/category.hpp>
namespace cif
{
// --------------------------------------------------------------------
class datablock : public std::list<category>
{
public:
datablock() = default;
datablock(std::string_view name)
: m_name(name)
{
}
datablock(const datablock &) = default;
datablock(datablock &&) = default;
datablock &operator=(const datablock &) = default;
datablock &operator=(datablock &&) = default;
// --------------------------------------------------------------------
const std::string &name() const { return m_name; }
void set_name(std::string_view name)
{
m_name = name;
}
void set_validator(const validator *v);
const validator *get_validator() const;
bool is_valid() const;
bool validate_links() const;
// --------------------------------------------------------------------
category &operator[](std::string_view name);
const category &operator[](std::string_view name) const;
category *get(std::string_view name);
const category *get(std::string_view name) const;
std::tuple<iterator, bool> emplace(std::string_view name);
std::vector<std::string> get_tag_order() const;
void write(std::ostream &os) const;
void write(std::ostream &os, const std::vector<std::string> &tag_order);
friend std::ostream &operator<<(std::ostream &os, const datablock &db)
{
db.write(os);
return os;
}
// --------------------------------------------------------------------
bool operator==(const datablock &rhs) const;
private:
std::string m_name;
const validator *m_validator = nullptr;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/validate.hpp>
namespace cif
{
validator parse_dictionary(std::string_view name, std::istream &is);
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <list>
#include <cif++/datablock.hpp>
#include <cif++/parser.hpp>
namespace cif
{
// --------------------------------------------------------------------
class file : public std::list<datablock>
{
public:
file() = default;
explicit file(const std::filesystem::path &p)
{
load(p);
}
explicit file(std::istream &is)
{
load(is);
}
explicit file(const char *data, size_t length)
{
struct membuf : public std::streambuf
{
membuf(char *text, size_t length)
{
this->setg(text, text, text + length);
}
} buffer(const_cast<char *>(data), length);
std::istream is(&buffer);
load(is);
}
file(const file &) = default;
file(file &&) = default;
file &operator=(const file &) = default;
file &operator=(file &&) = default;
void set_validator(const validator *v);
const validator *get_validator() const
{
return m_validator;
}
bool is_valid() const;
bool is_valid();
bool validate_links() const;
void load_dictionary();
void load_dictionary(std::string_view name);
bool contains(std::string_view name) const;
datablock &front()
{
assert(not empty());
return std::list<datablock>::front();
}
const datablock &front() const
{
assert(not empty());
return std::list<datablock>::front();
}
datablock &operator[](std::string_view name);
const datablock &operator[](std::string_view name) const;
std::tuple<iterator, bool> emplace(std::string_view name);
void load(const std::filesystem::path &p);
void load(std::istream &is);
void save(const std::filesystem::path &p) const;
void save(std::ostream &os) const;
friend std::ostream &operator<<(std::ostream &os, const file &f)
{
f.save(os);
return os;
}
private:
const validator *m_validator = nullptr;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <string>
/// \file format.hpp
/// File containing a basic reimplementation of boost::format
/// but then a bit more simplistic. Still this allowed me to move my code
/// from using boost::format to something without external dependency easily.
namespace cif
{
namespace detail
{
template <typename T>
struct to_varg
{
using type = T;
to_varg(const T &v)
: m_value(v)
{
}
type operator*() { return m_value; }
T m_value;
};
template <>
struct to_varg<const char *>
{
using type = const char *;
to_varg(const char *v)
: m_value(v)
{
}
type operator*() { return m_value.c_str(); }
std::string m_value;
};
template <>
struct to_varg<std::string>
{
using type = const char *;
to_varg(const std::string &v)
: m_value(v)
{
}
type operator*() { return m_value.c_str(); }
std::string m_value;
};
} // namespace
template <typename... Args>
class format_plus_arg
{
public:
using args_vector_type = std::tuple<detail::to_varg<Args>...>;
using vargs_vector_type = std::tuple<typename detail::to_varg<Args>::type...>;
format_plus_arg(const format_plus_arg &) = delete;
format_plus_arg &operator=(const format_plus_arg &) = delete;
format_plus_arg(std::string_view fmt, Args... args)
: m_fmt(fmt)
, m_args(std::forward<Args>(args)...)
{
auto ix = std::make_index_sequence<sizeof...(Args)>();
copy_vargs(ix);
}
std::string str()
{
char buffer[1024];
std::string::size_type r = std::apply(snprintf, std::tuple_cat(std::make_tuple(buffer, sizeof(buffer), m_fmt.c_str()), m_vargs));
return { buffer, r };
}
friend std::ostream &operator<<(std::ostream &os, const format_plus_arg &f)
{
char buffer[1024];
std::string::size_type r = std::apply(snprintf, std::tuple_cat(std::make_tuple(buffer, sizeof(buffer), f.m_fmt.c_str()), f.m_vargs));
os.write(buffer, r);
return os;
}
private:
template <size_t... I>
void copy_vargs(std::index_sequence<I...>)
{
((std::get<I>(m_vargs) = *std::get<I>(m_args)), ...);
}
std::string m_fmt;
args_vector_type m_args;
vargs_vector_type m_vargs;
};
template <typename... Args>
constexpr auto format(std::string_view fmt, Args... args)
{
return format_plus_arg(fmt, std::forward<Args>(args)...);
}
// --------------------------------------------------------------------
/// A streambuf that fills out lines with spaces up until a specified width
class fill_out_streambuf : public std::streambuf
{
public:
using base_type = std::streambuf;
using int_type = base_type::int_type;
using char_type = base_type::char_type;
using traits_type = base_type::traits_type;
fill_out_streambuf(std::ostream &os, int width = 80)
: m_os(os)
, m_upstream(os.rdbuf())
, m_width(width)
{
}
~fill_out_streambuf()
{
m_os.rdbuf(m_upstream);
}
virtual int_type
overflow(int_type ic = traits_type::eof())
{
char ch = traits_type::to_char_type(ic);
int_type result = ic;
if (ch == '\n')
{
for (int i = m_column_count; result != traits_type::eof() and i < m_width; ++i)
result = m_upstream->sputc(' ');
}
if (result != traits_type::eof())
result = m_upstream->sputc(ch);
if (result != traits_type::eof())
{
if (ch == '\n')
{
m_column_count = 0;
++m_line_count;
}
else
++m_column_count;
}
return result;
}
std::streambuf *get_upstream() const { return m_upstream; }
int get_line_count() const { return m_line_count; }
private:
std::ostream &m_os;
std::streambuf *m_upstream;
int m_width;
int m_line_count = 0;
int m_column_count = 0;
};
} // namespace pdbx

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <string>
#include <vector>
namespace cif
{
class category;
class datablock;
class file;
class parser;
class row;
class row_handle;
class item;
struct item_handle;
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <charconv>
#include <cstring>
#include <iomanip>
#include <iostream>
#include <limits>
#include <memory>
#include <optional>
#include <utility>
#include <cif++/forward_decl.hpp>
#include <cif++/text.hpp>
/// \file item.hpp
/// This file contains the declaration of item but also the item_value and item_handle
/// These handle the storage of and access to the data for a single data field.
namespace cif
{
extern int VERBOSE;
// --------------------------------------------------------------------
/// \brief item is a transient class that is used to pass data into rows
/// but it also takes care of formatting data.
class item
{
public:
/// \brief Default constructor, empty item
item() = default;
/// \brief constructor for an item with name \a name and as
/// content a single character string with content \a value
item(std::string_view name, char value)
: m_name(name)
, m_value({ value })
{
}
/// \brief constructor for an item with name \a name and as
/// content a the formatted floating point value \a value with
/// precision \a precision
template <typename T, std::enable_if_t<std::is_floating_point_v<T>, int> = 0>
item(std::string_view name, const T &value, int precision)
: m_name(name)
{
using namespace std;
using namespace cif;
char buffer[32];
auto r = to_chars(buffer, buffer + sizeof(buffer) - 1, value, chars_format::fixed, precision);
if (r.ec != std::errc())
throw std::runtime_error("Could not format number");
assert(r.ptr >= buffer and r.ptr < buffer + sizeof(buffer));
*r.ptr = 0;
m_value.assign(buffer, r.ptr - buffer);
}
/// \brief constructor for an item with name \a name and as
/// content a formatted floating point value \a value with
/// so-called general formatting
template <typename T, std::enable_if_t<std::is_floating_point_v<T>, int> = 0>
item(const std::string_view name, const T &value)
: m_name(name)
{
using namespace std;
using namespace cif;
char buffer[32];
auto r = to_chars(buffer, buffer + sizeof(buffer) - 1, value, chars_format::general);
if (r.ec != std::errc())
throw std::runtime_error("Could not format number");
assert(r.ptr >= buffer and r.ptr < buffer + sizeof(buffer));
*r.ptr = 0;
m_value.assign(buffer, r.ptr - buffer);
}
/// \brief constructor for an item with name \a name and as
/// content a the formatted integral value \a value
template <typename T, std::enable_if_t<std::is_integral_v<T> and not std::is_same_v<T,bool>, int> = 0>
item(const std::string_view name, const T &value)
: m_name(name)
{
char buffer[32];
auto r = std::to_chars(buffer, buffer + sizeof(buffer) - 1, value);
if (r.ec != std::errc())
throw std::runtime_error("Could not format number");
assert(r.ptr >= buffer and r.ptr < buffer + sizeof(buffer));
*r.ptr = 0;
m_value.assign(buffer, r.ptr - buffer);
}
/// \brief constructor for an item with name \a name and as
/// content a the formatted boolean value \a value
template <typename T, std::enable_if_t<std::is_same_v<T,bool>, int> = 0>
item(const std::string_view name, const T &value)
: m_name(name)
{
m_value.assign(value ? "y" : "n");
}
/// \brief constructor for an item with name \a name and as
/// content value \a value
item(const std::string_view name, const std::string_view value)
: m_name(name)
, m_value(value)
{
}
item(const item &rhs) = default;
item(item &&rhs) noexcept = default;
item &operator=(const item &rhs) = default;
item &operator=(item &&rhs) noexcept = default;
std::string_view name() const { return m_name; }
std::string_view value() const { return m_value; }
/// \brief replace the content of the stored value with \a v
void value(std::string_view v) { m_value = v; }
/// \brief empty means either null or unknown
bool empty() const { return m_value.empty(); }
/// \brief returns true if the field contains '.'
bool is_null() const { return m_value == "."; }
/// \brief returns true if the field contains '?'
bool is_unknown() const { return m_value == "?"; }
/// \brief the length of the value string
size_t length() const { return m_value.length(); }
/// \brief support for structured binding
template<size_t N>
decltype(auto) get() const
{
if constexpr (N == 0) return name();
else if constexpr (N == 1) return value();
}
private:
std::string_view m_name;
std::string m_value;
};
// --------------------------------------------------------------------
/// \brief the internal storage for items in a category
///
/// Internal storage, strictly forward linked list with minimal space
/// requirements. Strings of size 7 or shorter are stored internally.
/// Typically, more than 99% of the strings in an mmCIF file are less
/// than 8 bytes in length.
struct item_value
{
item_value() = default;
/// \brief constructor
item_value(std::string_view text)
: m_length(text.length())
{
if (m_length >= kBufferSize)
{
m_data = new char[m_length + 1];
std::copy(text.begin(), text.end(), m_data);
m_data[m_length] = 0;
}
else
{
std::copy(text.begin(), text.end(), m_local_data);
m_local_data[m_length] = 0;
}
}
item_value(item_value &&rhs)
: m_length(std::exchange(rhs.m_length, 0))
, m_data(std::exchange(rhs.m_data, nullptr))
{
}
item_value &operator=(item_value &&rhs)
{
if (this != &rhs)
{
m_length = std::exchange(rhs.m_length, m_length);
m_data = std::exchange(rhs.m_data, m_data);
}
return *this;
}
~item_value()
{
if (m_length >= kBufferSize)
delete[] m_data;
m_data = nullptr;
m_length = 0;
}
item_value(const item_value &) = delete;
item_value &operator=(const item_value &) = delete;
explicit operator bool() const
{
return m_length != 0;
}
size_t m_length = 0;
union
{
char m_local_data[8];
char *m_data;
};
static constexpr size_t kBufferSize = sizeof(m_local_data);
// By using std::string_view instead of c_str we obain a
// nice performance gain since we avoid many calls to strlen.
constexpr inline std::string_view text() const
{
return { m_length >= kBufferSize ? m_data : m_local_data, m_length };
}
};
// static_assert(sizeof(item_value) == 24, "sizeof(item_value) should be 24 bytes");
static_assert(sizeof(item_value) == 16, "sizeof(item_value) should be 16 bytes");
// --------------------------------------------------------------------
// Transient object to access stored data
/// \brief This is item_handle, it is used to access the data stored in item_value.
struct item_handle
{
public:
// conversion helper class
template <typename T, typename = void>
struct item_value_as;
template <typename T>
item_handle &operator=(const T &value)
{
item v{ "", value };
assign_value(v);
return *this;
}
template <typename... Ts>
void os(const Ts &...v)
{
std::ostringstream ss;
((ss << v), ...);
this->operator=(ss.str());
}
void swap(item_handle &b);
template <typename T = std::string>
auto as() const -> T
{
using value_type = std::remove_cv_t<std::remove_reference_t<T>>;
return item_value_as<value_type>::convert(*this);
}
template <typename T>
auto value_or(const T &dv) const
{
return empty() ? dv : this->as<T>();
}
template <typename T>
int compare(const T &value, bool icase = true) const
{
return item_value_as<T>::compare(*this, value, icase);
}
template <typename T>
bool operator==(const T &value) const
{
// TODO: icase or not icase?
return item_value_as<T>::compare(*this, value, true) == 0;
}
// We may not have C++20 yet...
template <typename T>
bool operator!=(const T &value) const
{
return not operator==(value);
}
// empty means either null or unknown
bool empty() const
{
auto txt = text();
return txt.empty() or (txt.length() == 1 and (txt.front() == '.' or txt.front() == '?'));
}
explicit operator bool() const { return not empty(); }
// is_null means the field contains '.'
bool is_null() const
{
auto txt = text();
return txt.length() == 1 and txt.front() == '.';
}
// is_unknown means the field contains '?'
bool is_unknown() const
{
auto txt = text();
return txt.length() == 1 and txt.front() == '?';
}
std::string_view text() const;
item_handle(uint16_t column, row_handle &row)
: m_column(column)
, m_row_handle(row)
{
}
static const item_handle s_null_item;
friend void swap(item_handle a, item_handle b)
{
a.swap(b);
}
private:
item_handle();
uint16_t m_column;
row_handle &m_row_handle;
void assign_value(const item &value);
};
// So sad that older gcc implementations of from_chars did not support floats yet...
template <typename T>
struct item_handle::item_value_as<T, std::enable_if_t<std::is_arithmetic_v<T> and not std::is_same_v<T, bool>>>
{
using value_type = std::remove_reference_t<std::remove_cv_t<T>>;
static value_type convert(const item_handle &ref)
{
value_type result = {};
if (not ref.empty())
{
auto txt = ref.text();
std::from_chars_result r = selected_charconv<value_type>::from_chars(txt.data(), txt.data() + txt.size(), result);
if (r.ec != std::errc())
{
result = {};
if (cif::VERBOSE)
{
if (r.ec == std::errc::invalid_argument)
std::cerr << "Attempt to convert " << std::quoted(txt) << " into a number" << std::endl;
else if (r.ec == std::errc::result_out_of_range)
std::cerr << "Conversion of " << std::quoted(txt) << " into a type that is too small" << std::endl;
}
}
}
return result;
}
static int compare(const item_handle &ref, const T &value, bool icase)
{
int result = 0;
auto txt = ref.text();
if (txt.empty())
result = 1;
else
{
value_type v = {};
std::from_chars_result r = selected_charconv<value_type>::from_chars(txt.data(), txt.data() + txt.size(), v);
if (r.ec != std::errc())
{
if (cif::VERBOSE)
{
if (r.ec == std::errc::invalid_argument)
std::cerr << "Attempt to convert " << std::quoted(txt) << " into a number" << std::endl;
else if (r.ec == std::errc::result_out_of_range)
std::cerr << "Conversion of " << std::quoted(txt) << " into a type that is too small" << std::endl;
}
result = 1;
}
else if (v < value)
result = -1;
else if (v > value)
result = 1;
}
return result;
}
};
template <typename T>
struct item_handle::item_value_as<std::optional<T>>
{
static std::optional<T> convert(const item_handle &ref)
{
std::optional<T> result;
if (ref)
result = ref.as<T>();
return result;
}
static int compare(const item_handle &ref, std::optional<T> value, bool icase)
{
if (ref.empty() and not value)
return 0;
if (ref.empty())
return -1;
else if (not value)
return 1;
else
return ref.compare(*value, icase);
}
};
template <typename T>
struct item_handle::item_value_as<T, std::enable_if_t<std::is_same_v<T, bool>>>
{
static bool convert(const item_handle &ref)
{
bool result = false;
if (not ref.empty())
result = iequals(ref.text(), "y");
return result;
}
static int compare(const item_handle &ref, bool value, bool icase)
{
bool rv = convert(ref);
return value && rv ? 0
: (rv < value ? -1 : 1);
}
};
template <size_t N>
struct item_handle::item_value_as<char[N]>
{
static std::string convert(const item_handle &ref)
{
if (ref.empty())
return {};
return { ref.text().data(), ref.text().size() };
}
static int compare(const item_handle &ref, const char (&value)[N], bool icase)
{
return icase ? cif::icompare(ref.text(), value) : ref.text().compare(value);
}
};
template <typename T>
struct item_handle::item_value_as<T, std::enable_if_t<std::is_same_v<T, const char *>>>
{
static std::string convert(const item_handle &ref)
{
if (ref.empty())
return {};
return { ref.text().data(), ref.text().size() };
}
static int compare(const item_handle &ref, const char *value, bool icase)
{
return icase ? cif::icompare(ref.text(), value) : ref.text().compare(value);
}
};
template <typename T>
struct item_handle::item_value_as<T, std::enable_if_t<std::is_same_v<T, std::string_view>>>
{
static std::string convert(const item_handle &ref)
{
if (ref.empty())
return {};
return { ref.text().data(), ref.text().size() };
}
static int compare(const item_handle &ref, const std::string_view &value, bool icase)
{
return icase ? cif::icompare(ref.text(), value) : ref.text().compare(value);
}
};
template <typename T>
struct item_handle::item_value_as<T, std::enable_if_t<std::is_same_v<T, std::string>>>
{
static std::string convert(const item_handle &ref)
{
if (ref.empty())
return {};
return { ref.text().data(), ref.text().size() };
}
static int compare(const item_handle &ref, const std::string &value, bool icase)
{
return icase ? cif::icompare(ref.text(), value) : ref.text().compare(value);
}
};
} // namespace cif
namespace std
{
template<> struct tuple_size<::cif::item>
: public std::integral_constant<std::size_t, 2> {};
template<> struct tuple_element<0, ::cif::item>
{
using type = decltype(std::declval<::cif::item>().name());
};
template<> struct tuple_element<1, ::cif::item>
{
using type = decltype(std::declval<::cif::item>().value());
};
}

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/row.hpp>
namespace cif
{
// --------------------------------------------------------------------
template <typename Category, typename... Ts>
class iterator_impl
{
public:
template <typename, typename...>
friend class iterator_impl;
friend class category;
static constexpr size_t N = sizeof...(Ts);
using category_type = std::remove_cv_t<Category>;
using row_type = std::conditional_t<std::is_const_v<Category>, const row, row>;
using tuple_type = std::tuple<Ts...>;
using iterator_category = std::forward_iterator_tag;
using value_type = tuple_type;
using difference_type = std::ptrdiff_t;
using pointer = value_type *;
using reference = value_type &;
iterator_impl() = default;
iterator_impl(const iterator_impl &rhs) = default;
template <typename C2, typename... T2s>
iterator_impl(const iterator_impl<C2, T2s...> &rhs)
: m_category(rhs.m_category)
, m_current(rhs.m_current)
, m_value(rhs.m_value)
, m_column_ix(rhs.m_column_ix)
{
}
template <typename IRowType>
iterator_impl(iterator_impl<IRowType, Ts...> &rhs)
: m_category(rhs.m_category)
, m_current(const_cast<row_type *>(rhs.m_current))
, m_value(rhs.m_value)
, m_column_ix(rhs.m_column_ix)
{
m_value = get(std::make_index_sequence<N>());
}
template <typename IRowType>
iterator_impl(const iterator_impl<IRowType> &rhs, const std::array<uint16_t, N> &cix)
: m_category(rhs.m_category)
, m_current(rhs.m_current)
, m_column_ix(cix)
{
m_value = get(std::make_index_sequence<N>());
}
iterator_impl &operator=(const iterator_impl &i)
{
m_category = i.m_category;
m_current = i.m_current;
m_column_ix = i.m_column_ix;
m_value = i.m_value;
return *this;
}
virtual ~iterator_impl() = default;
reference operator*()
{
return m_value;
}
pointer operator->()
{
return &m_value;
}
operator const row_handle() const
{
return { *m_category, *m_current };
}
operator row_handle()
{
return { *m_category, *m_current };
}
iterator_impl &operator++()
{
if (m_current != nullptr)
m_current = m_current->m_next;
m_value = get(std::make_index_sequence<N>());
return *this;
}
iterator_impl operator++(int)
{
iterator_impl result(*this);
this->operator++();
return result;
}
bool operator==(const iterator_impl &rhs) const { return m_current == rhs.m_current; }
bool operator!=(const iterator_impl &rhs) const { return m_current != rhs.m_current; }
template <typename IRowType, typename... ITs>
bool operator==(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current == rhs.m_current;
}
template <typename IRowType, typename... ITs>
bool operator!=(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current != rhs.m_current;
}
private:
template <size_t... Is>
tuple_type get(std::index_sequence<Is...>) const
{
if (m_current != nullptr)
{
row_handle rh{*m_category, *m_current};
return tuple_type{rh[m_column_ix[Is]].template as<Ts>()...};
}
return {};
}
category_type *m_category = nullptr;
row_type *m_current = nullptr;
value_type m_value;
std::array<uint16_t, N> m_column_ix;
};
template<typename Category>
class iterator_impl<Category>
{
public:
template <typename, typename...>
friend class iterator_impl;
friend class category;
using category_type = std::remove_cv_t<Category>;
using row_type = std::conditional_t<std::is_const_v<Category>, const row, row>;
using iterator_category = std::forward_iterator_tag;
using value_type = row_handle;
using difference_type = std::ptrdiff_t;
using pointer = row_handle;
using reference = row_handle;
iterator_impl() = default;
iterator_impl(const iterator_impl &rhs) = default;
template <typename C2>
iterator_impl(const iterator_impl<C2> &rhs)
: m_category(rhs.m_category)
, m_current(const_cast<row_type*>(rhs.m_current))
{
}
iterator_impl(Category &cat, row *current)
: m_category(const_cast<category_type *>(&cat))
, m_current(current)
{
}
template <typename IRowType>
iterator_impl(const iterator_impl<IRowType> &rhs, const std::array<uint16_t, 0> &)
: m_category(rhs.m_category)
, m_current(rhs.m_current)
{
}
iterator_impl &operator=(const iterator_impl &i)
{
m_category = i.m_category;
m_current = i.m_current;
return *this;
}
virtual ~iterator_impl() = default;
reference operator*()
{
return {*m_category, *m_current};
}
pointer operator->()
{
return &m_current;
}
operator const row_handle() const
{
return { *m_category, *m_current };
}
operator row_handle()
{
return { *m_category, *m_current };
}
iterator_impl &operator++()
{
if (m_current != nullptr)
m_current = m_current->m_next;
return *this;
}
iterator_impl operator++(int)
{
iterator_impl result(*this);
this->operator++();
return result;
}
bool operator==(const iterator_impl &rhs) const { return m_current == rhs.m_current; }
bool operator!=(const iterator_impl &rhs) const { return m_current != rhs.m_current; }
template <typename IRowType, typename... ITs>
bool operator==(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current == rhs.m_current;
}
template <typename IRowType, typename... ITs>
bool operator!=(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current != rhs.m_current;
}
private:
category_type *m_category = nullptr;
row_type *m_current = nullptr;
};
template<typename Category, typename T>
class iterator_impl<Category, T>
{
public:
template <typename, typename...>
friend class iterator_impl;
friend class category;
using category_type = std::remove_cv_t<Category>;
using row_type = std::conditional_t<std::is_const_v<Category>, const row, row>;
using iterator_category = std::forward_iterator_tag;
using value_type = T;
using difference_type = std::ptrdiff_t;
using pointer = value_type *;
using reference = value_type &;
iterator_impl() = default;
iterator_impl(const iterator_impl &rhs) = default;
template <typename C2, typename T2>
iterator_impl(const iterator_impl<C2, T2> &rhs)
: m_category(rhs.m_category)
, m_current(rhs.m_current)
, m_value(rhs.m_value)
, m_column_ix(rhs.m_column_ix)
{
}
template <typename IRowType>
iterator_impl(iterator_impl<IRowType, T> &rhs)
: m_category(rhs.m_category)
, m_current(const_cast<row_type *>(rhs.m_current))
, m_value(rhs.m_value)
, m_column_ix(rhs.m_column_ix)
{
m_value = get(m_current);
}
template <typename IRowType>
iterator_impl(const iterator_impl<IRowType> &rhs, const std::array<uint16_t, 1> &cix)
: m_category(rhs.m_category)
, m_current(rhs.m_current)
, m_column_ix(cix[0])
{
m_value = get();
}
iterator_impl &operator=(const iterator_impl &i)
{
m_category = i.m_category;
m_current = i.m_current;
m_column_ix = i.m_column_ix;
m_value = i.m_value;
return *this;
}
virtual ~iterator_impl() = default;
reference operator*()
{
return m_value;
}
pointer operator->()
{
return &m_value;
}
operator const row_handle() const
{
return { *m_category, *m_current };
}
operator row_handle()
{
return { *m_category, *m_current };
}
iterator_impl &operator++()
{
if (m_current != nullptr)
m_current = m_current->m_next;
m_value = get();
return *this;
}
iterator_impl operator++(int)
{
iterator_impl result(*this);
this->operator++();
return result;
}
bool operator==(const iterator_impl &rhs) const { return m_current == rhs.m_current; }
bool operator!=(const iterator_impl &rhs) const { return m_current != rhs.m_current; }
template <typename IRowType, typename... ITs>
bool operator==(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current == rhs.m_current;
}
template <typename IRowType, typename... ITs>
bool operator!=(const iterator_impl<IRowType, ITs...> &rhs) const
{
return m_current != rhs.m_current;
}
private:
value_type get() const
{
if (m_current != nullptr)
{
row_handle rh{*m_category, *m_current};
return rh[m_column_ix].template as<T>();
}
return {};
}
category_type *m_category = nullptr;
row_type *m_current = nullptr;
value_type m_value;
uint16_t m_column_ix;
};
// --------------------------------------------------------------------
// iterator proxy
template <typename Category, typename... Ts>
class iterator_proxy
{
public:
static constexpr const size_t N = sizeof...(Ts);
using category_type = Category;
using row_type = std::conditional_t<std::is_const_v<category_type>, const row, row>;
using iterator = iterator_impl<category_type, Ts...>;
using row_iterator = iterator_impl<category_type>;
iterator_proxy(category_type &cat, row_iterator pos, char const *const columns[N]);
iterator_proxy(category_type &cat, row_iterator pos, std::initializer_list<char const *> columns);
iterator_proxy(iterator_proxy &&p);
iterator_proxy &operator=(iterator_proxy &&p);
iterator_proxy(const iterator_proxy &) = delete;
iterator_proxy &operator=(const iterator_proxy &) = delete;
iterator begin() const { return iterator(m_begin, m_column_ix); }
iterator end() const { return iterator(m_end, m_column_ix); }
bool empty() const { return m_begin == m_end; }
explicit operator bool() const { return not empty(); }
size_t size() const { return std::distance(begin(), end()); }
// row front() { return *begin(); }
// row back() { return *(std::prev(end())); }
category_type &category() const { return *m_category; }
void swap(iterator_proxy &rhs)
{
std::swap(m_category, rhs.m_category);
std::swap(m_begin, rhs.m_begin);
std::swap(m_end, rhs.m_end);
std::swap(m_column_ix, rhs.m_column_ix);
}
private:
category_type *m_category;
row_iterator m_begin, m_end;
std::array<uint16_t, N> m_column_ix;
};
// --------------------------------------------------------------------
// conditional iterator proxy
template <typename CategoryType, typename... Ts>
class conditional_iterator_proxy
{
public:
static constexpr const size_t N = sizeof...(Ts);
using category_type = std::remove_cv_t<CategoryType>;
using base_iterator = iterator_impl<CategoryType, Ts...>;
using value_type = typename base_iterator::value_type;
using row_type = typename base_iterator::row_type;
using row_iterator = iterator_impl<CategoryType>;
class conditional_iterator_impl
{
public:
using iterator_category = std::forward_iterator_tag;
using value_type = conditional_iterator_proxy::value_type;
using difference_type = std::ptrdiff_t;
using pointer = value_type *;
using reference = value_type;
conditional_iterator_impl(CategoryType &cat, row_iterator pos, const condition &cond, const std::array<uint16_t, N> &cix);
conditional_iterator_impl(const conditional_iterator_impl &i) = default;
conditional_iterator_impl &operator=(const conditional_iterator_impl &i) = default;
virtual ~conditional_iterator_impl() = default;
reference operator*()
{
return *mBegin;
}
pointer operator->()
{
return &*mBegin;
}
conditional_iterator_impl &operator++()
{
while (mBegin != mEnd)
{
if (++mBegin == mEnd)
break;
if (m_condition->operator()(mBegin))
break;
}
return *this;
}
conditional_iterator_impl operator++(int)
{
conditional_iterator_impl result(*this);
this->operator++();
return result;
}
bool operator==(const conditional_iterator_impl &rhs) const { return mBegin == rhs.mBegin; }
bool operator!=(const conditional_iterator_impl &rhs) const { return mBegin != rhs.mBegin; }
template <typename IRowType, typename... ITs>
bool operator==(const iterator_impl<IRowType, ITs...> &rhs) const { return mBegin == rhs; }
template <typename IRowType, typename... ITs>
bool operator!=(const iterator_impl<IRowType, ITs...> &rhs) const { return mBegin != rhs; }
private:
CategoryType *mCat;
base_iterator mBegin, mEnd;
const condition *m_condition;
};
using iterator = conditional_iterator_impl;
using reference = typename iterator::reference;
template <typename... Ns>
conditional_iterator_proxy(CategoryType &cat, row_iterator pos, condition &&cond, Ns... names);
conditional_iterator_proxy(conditional_iterator_proxy &&p);
conditional_iterator_proxy &operator=(conditional_iterator_proxy &&p);
conditional_iterator_proxy(const conditional_iterator_proxy &) = delete;
conditional_iterator_proxy &operator=(const conditional_iterator_proxy &) = delete;
iterator begin() const;
iterator end() const;
bool empty() const;
explicit operator bool() const { return not empty(); }
size_t size() const { return std::distance(begin(), end()); }
row_handle front() { return *begin(); }
// row_handle back() { return *begin(); }
CategoryType &category() const { return *m_cat; }
void swap(conditional_iterator_proxy &rhs);
private:
CategoryType *m_cat;
condition m_condition;
row_iterator mCBegin, mCEnd;
std::array<uint16_t, N> mCix;
};
// --------------------------------------------------------------------
template <typename Category, typename... Ts>
iterator_proxy<Category, Ts...>::iterator_proxy(Category &cat, row_iterator pos, char const *const columns[N])
: m_category(&cat)
, m_begin(pos)
, m_end(cat.end())
{
for (uint16_t i = 0; i < N; ++i)
m_column_ix[i] = m_category->get_column_ix(columns[i]);
}
template <typename Category, typename... Ts>
iterator_proxy<Category, Ts...>::iterator_proxy(Category &cat, row_iterator pos, std::initializer_list<char const *> columns)
: m_category(&cat)
, m_begin(pos)
, m_end(cat.end())
{
// static_assert(columns.size() == N, "The list of column names should be exactly the same as the list of requested columns");
std::uint16_t i = 0;
for (auto column : columns)
m_column_ix[i++] = m_category->get_column_ix(column);
}
// --------------------------------------------------------------------
template <typename Category, typename... Ts>
conditional_iterator_proxy<Category, Ts...>::conditional_iterator_impl::conditional_iterator_impl(
Category &cat, row_iterator pos, const condition &cond, const std::array<uint16_t, N> &cix)
: mCat(&cat)
, mBegin(pos, cix)
, mEnd(cat.end(), cix)
, m_condition(&cond)
{
}
template <typename Category, typename... Ts>
conditional_iterator_proxy<Category, Ts...>::conditional_iterator_proxy(conditional_iterator_proxy &&p)
: m_cat(nullptr)
, mCBegin(p.mCBegin)
, mCEnd(p.mCEnd)
, mCix(p.mCix)
{
std::swap(m_cat, p.m_cat);
std::swap(mCix, p.mCix);
m_condition.swap(p.m_condition);
}
template <typename Category, typename... Ts>
template <typename... Ns>
conditional_iterator_proxy<Category, Ts...>::conditional_iterator_proxy(Category &cat, row_iterator pos, condition &&cond, Ns... names)
: m_cat(&cat)
, m_condition(std::move(cond))
, mCBegin(pos)
, mCEnd(cat.end())
{
static_assert(sizeof...(Ts) == sizeof...(Ns), "Number of column names should be equal to number of requested value types");
m_condition.prepare(cat);
while (mCBegin != mCEnd and not m_condition(*mCBegin))
++mCBegin;
uint16_t i = 0;
((mCix[i++] = m_cat->get_column_ix(names)), ...);
}
template <typename Category, typename... Ts>
conditional_iterator_proxy<Category, Ts...> &conditional_iterator_proxy<Category, Ts...>::operator=(conditional_iterator_proxy &&p)
{
swap(p);
return *this;
}
template <typename Category, typename... Ts>
typename conditional_iterator_proxy<Category, Ts...>::iterator conditional_iterator_proxy<Category, Ts...>::begin() const
{
return iterator(*m_cat, mCBegin, m_condition, mCix);
}
template <typename Category, typename... Ts>
typename conditional_iterator_proxy<Category, Ts...>::iterator conditional_iterator_proxy<Category, Ts...>::end() const
{
return iterator(*m_cat, mCEnd, m_condition, mCix);
}
template <typename Category, typename... Ts>
bool conditional_iterator_proxy<Category, Ts...>::empty() const
{
return mCBegin == mCEnd;
}
template <typename Category, typename... Ts>
void conditional_iterator_proxy<Category, Ts...>::swap(conditional_iterator_proxy &rhs)
{
std::swap(m_cat, rhs.m_cat);
m_condition.swap(rhs.m_condition);
std::swap(mCBegin, rhs.mCBegin);
std::swap(mCEnd, rhs.mCEnd);
std::swap(mCix, rhs.mCix);
}
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <memory>
namespace cif
{
// --------------------------------------------------------------------
template<typename Allocator = std::allocator<void>>
class list
{
public:
protected:
struct list_item
{
list_item *m_next = nullptr;
};
using list_item_allocator_type = typename std::allocator_traits<Alloc>::template rebind_alloc<list_item>;
using list_item_allocator_traits = std::allocator_traits<item_allocator_type>;
list_item_allocator_traits::pointer get_item()
{
list_item_allocator_type ia(get_allocator());
return list_item_allocator_traits::allocate(ia, 1);
}
template<typename ...Arguments>
list_item *create_list_item(uint16_t column_ix, Arguments... args)
{
auto p = this->get_item();
list_item_allocator_type ia(get_allocator());
list_item_allocator_traits::construct(ia, p, std::forward<Arguments>(args)...);
return p;
}
void delete_list_item(list_item *iv)
{
list_item_allocator_type ia(get_allocator());
list_item_allocator_traits::destroy(ia, iv);
list_item_allocator_traits::deallocate(ia, iv, 1);
}
list_item *m_head = nullptr, *m_tail = nullptr;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <numeric>
#include <cif++/atom_type.hpp>
#if __cpp_lib_format
#include <format>
#endif
namespace cif::mm
{
class atom;
class residue;
class monomer;
class polymer;
class structure;
// --------------------------------------------------------------------
class atom
{
private:
struct atom_impl : public std::enable_shared_from_this<atom_impl>
{
atom_impl(datablock &db, std::string_view id)
: m_db(db)
, m_cat(db["atom_site"])
, m_id(id)
{
auto r = row();
if (r)
tie(m_location.m_x, m_location.m_y, m_location.m_z) = r.get("Cartn_x", "Cartn_y", "Cartn_z");
}
// constructor for a symmetry copy of an atom
atom_impl(const atom_impl &impl, const point &loc, const std::string &sym_op)
: atom_impl(impl)
{
m_location = loc;
m_symop = sym_op;
}
atom_impl(const atom_impl &i) = default;
void prefetch();
int compare(const atom_impl &b) const;
// bool getAnisoU(float anisou[6]) const;
int get_charge() const;
void moveTo(const point &p);
// const compound *compound() const;
std::string get_property(std::string_view name) const;
int get_property_int(std::string_view name) const;
float get_property_float(std::string_view name) const;
void set_property(const std::string_view name, const std::string &value);
row_handle row()
{
return m_cat[{{"id", m_id}}];
}
const row_handle row() const
{
return m_cat[{{"id", m_id}}];
}
row_handle row_aniso()
{
auto cat = m_db.get("atom_site_anisotrop");
return cat ? cat->find1(key("id") == m_id) : row_handle{};
}
const row_handle row_aniso() const
{
auto cat = m_db.get("atom_site_anisotrop");
return cat ? cat->find1(key("id") == m_id) : row_handle{};
}
const datablock &m_db;
category &m_cat;
std::string m_id;
point m_location;
std::string m_symop = "1_555";
};
public:
atom() {}
atom(std::shared_ptr<atom_impl> impl)
: m_impl(impl)
{
}
atom(const atom &rhs)
: m_impl(rhs.m_impl)
{
}
atom(datablock &db, row_handle &row)
: atom(std::make_shared<atom_impl>(db, row["id"].as<std::string>()))
{
}
// a special constructor to create symmetry copies
atom(const atom &rhs, const point &symmmetry_location, const std::string &symmetry_operation)
: atom(std::make_shared<atom_impl>(*rhs.m_impl, symmmetry_location, symmetry_operation))
{
}
explicit operator bool() const { return (bool)m_impl; }
// // return a copy of this atom, with data copied instead of referenced
// atom clone() const
// {
// auto copy = std::make_shared<atom_impl>(*m_impl);
// copy->mClone = true;
// return atom(copy);
// }
atom &operator=(const atom &rhs) = default;
// template <typename T>
// T get_property(const std::string_view name) const;
std::string get_property(std::string_view name) const
{
if (not m_impl)
throw std::logic_error("Error trying to fetch a property from an uninitialized atom");
return m_impl->get_property(name);
}
int get_property_int(std::string_view name) const
{
if (not m_impl)
throw std::logic_error("Error trying to fetch a property from an uninitialized atom");
return m_impl->get_property_int(name);
}
float get_property_float(std::string_view name) const
{
if (not m_impl)
throw std::logic_error("Error trying to fetch a property from an uninitialized atom");
return m_impl->get_property_float(name);
}
void set_property(const std::string_view name, const std::string &value)
{
if (not m_impl)
throw std::logic_error("Error trying to modify an uninitialized atom");
m_impl->set_property(name, value);
}
template <typename T, std::enable_if_t<std::is_arithmetic_v<T>, int> = 0>
void set_property(const std::string_view name, const T &value)
{
set_property(name, std::to_string(value));
}
const std::string &id() const { return impl().m_id; }
cif::atom_type get_type() const { return atom_type_traits(get_property("type_symbol")).type(); }
point get_location() const { return impl().m_location; }
void set_location(point p)
{
if (not m_impl)
throw std::logic_error("Error trying to modify an uninitialized atom");
m_impl->moveTo(p);
}
/// \brief Translate the position of this atom by \a t
void translate(point t)
{
set_location(get_location() + t);
}
/// \brief Rotate the position of this atom by \a q
void rotate(quaternion q)
{
auto loc = get_location();
loc.rotate(q);
set_location(loc);
}
/// \brief Translate and rotate the position of this atom by \a t and \a q
void translate_and_rotate(point t, quaternion q)
{
auto loc = get_location();
loc += t;
loc.rotate(q);
set_location(loc);
}
/// \brief Translate, rotate and translate again the coordinates this atom by \a t1 , \a q and \a t2
void translate_rotate_and_translate(point t1, quaternion q, point t2)
{
auto loc = get_location();
loc += t1;
loc.rotate(q);
loc += t2;
set_location(loc);
}
// for direct access to underlying data, be careful!
const row_handle get_row() const { return impl().row(); }
const row_handle get_row_aniso() const { return impl().row_aniso(); }
bool is_symmetry_copy() const { return impl().m_symop != "1_555"; }
std::string symmetry() const { return impl().m_symop; }
// const compound &compound() const;
bool is_water() const
{
auto comp_id = get_label_comp_id();
return comp_id == "HOH" or comp_id == "H2O" or comp_id == "WAT";
}
int get_charge() const { return impl().get_charge(); }
// float uIso() const;
// bool getAnisoU(float anisou[6]) const { return impl().getAnisoU(anisou); }
float get_occupancy() const { return get_property_float("occupancy"); }
// specifications
std::string get_label_asym_id() const { return get_property("label_asym_id"); }
int get_label_seq_id() const { return get_property_int("label_seq_id"); }
std::string get_label_atom_id() const { return get_property("label_atom_id"); }
std::string get_label_alt_id() const { return get_property("label_alt_id"); }
std::string get_label_comp_id() const { return get_property("label_comp_id"); }
std::string get_label_entity_id() const { return get_property("label_entity_id"); }
std::string get_auth_asym_id() const { return get_property("auth_asym_id"); }
std::string get_auth_seq_id() const { return get_property("auth_seq_id"); }
std::string get_auth_atom_id() const { return get_property("auth_atom_id"); }
std::string get_auth_alt_id() const { return get_property("auth_alt_id"); }
std::string get_auth_comp_id() const { return get_property("auth_comp_id"); }
std::string get_pdb_ins_code() const { return get_property("pdbx_PDB_ins_code"); }
bool is_alternate() const { return not get_label_alt_id().empty(); }
// std::string labelID() const; // label_comp_id + '_' + label_asym_id + '_' + label_seq_id
std::string pdb_id() const
{
return get_label_comp_id() + '_' + get_auth_asym_id() + '_' + get_auth_seq_id() + get_pdb_ins_code();
}
bool operator==(const atom &rhs) const
{
if (m_impl == rhs.m_impl)
return true;
if (not(m_impl and rhs.m_impl))
return false;
return &m_impl->m_db == &rhs.m_impl->m_db and m_impl->m_id == rhs.m_impl->m_id;
}
bool operator!=(const atom &rhs) const
{
return not operator==(rhs);
}
// // access data in compound for this atom
// convenience routine
bool is_back_bone() const
{
auto atomID = get_label_atom_id();
return atomID == "N" or atomID == "O" or atomID == "C" or atomID == "CA";
}
void swap(atom &b)
{
std::swap(m_impl, b.m_impl);
}
int compare(const atom &b) const { return impl().compare(*b.m_impl); }
bool operator<(const atom &rhs) const
{
return compare(rhs) < 0;
}
friend std::ostream &operator<<(std::ostream &os, const atom &atom);
// /// \brief Synchronize data with underlying cif data
// void sync()
// {
// if (m_impl)
// m_impl->prefetch();
// }
private:
friend class structure;
const atom_impl &impl() const
{
if (not m_impl)
throw std::runtime_error("Uninitialized atom, not found?");
return *m_impl;
}
std::shared_ptr<atom_impl> m_impl;
};
// template <>
// inline std::string atom::get_property<std::string>(const std::string_view name) const
// {
// return get_property(name);
// }
// template <>
// inline int atom::get_property<int>(const std::string_view name) const
// {
// auto v = impl().get_property(name);
// return v.empty() ? 0 : stoi(v);
// }
// template <>
// inline float atom::get_property<float>(const std::string_view name) const
// {
// return stof(impl().get_property(name));
// }
inline void swap(atom &a, atom &b)
{
a.swap(b);
}
inline float distance(const atom &a, const atom &b)
{
return distance(a.get_location(), b.get_location());
}
inline float distance_squared(const atom &a, const atom &b)
{
return distance_squared(a.get_location(), b.get_location());
}
// --------------------------------------------------------------------
enum class EntityType
{
polymer,
NonPolymer,
Macrolide,
Water,
Branched
};
// --------------------------------------------------------------------
class residue
{
public:
friend class structure;
// constructor
residue(const structure &structure, const std::string &compoundID,
const std::string &asymID, int seqID,
const std::string &authAsymID, const std::string &authSeqID,
const std::string &pdbInsCode)
: m_structure(&structure)
, m_compound_id(compoundID)
, m_asym_id(asymID)
, m_seq_id(seqID)
, m_auth_asym_id(authAsymID)
, m_auth_seq_id(authSeqID)
, m_pdb_ins_code(pdbInsCode)
{
}
residue(const residue &rhs) = delete;
residue &operator=(const residue &rhs) = delete;
residue(residue &&rhs) = default;
residue &operator=(residue &&rhs) = default;
virtual ~residue() = default;
std::string get_entity_id() const;
EntityType entity_type() const;
const std::string &get_asym_id() const { return m_asym_id; }
int get_seq_id() const { return m_seq_id; }
const std::string get_auth_asym_id() const { return m_auth_asym_id; }
const std::string get_auth_seq_id() const { return m_auth_seq_id; }
std::string get_pdb_ins_code() const { return m_pdb_ins_code; }
const std::string &get_compound_id() const { return m_compound_id; }
void set_compound_id(const std::string &id) { m_compound_id = id; }
const structure *get_structure() const { return m_structure; }
// const compound &compound() const;
std::vector<atom> &atoms()
{
return m_atoms;
}
const std::vector<atom> &atoms() const
{
return m_atoms;
}
void add_atom(atom &atom);
/// \brief Unique atoms returns only the atoms without alternates and the first of each alternate atom id.
std::vector<atom> unique_atoms() const;
/// \brief The alt ID used for the unique atoms
std::string unique_alt_id() const;
atom get_atom_by_atom_id(const std::string &atomID) const;
// Is this residue a single entity?
bool is_entity() const;
bool is_water() const { return m_compound_id == "HOH"; }
// bool empty() const { return m_structure == nullptr; }
bool has_alternate_atoms() const;
/// \brief Return the list of unique alt ID's present in this residue
std::set<std::string> get_alternate_ids() const;
/// \brief Return the list of unique atom ID's
std::set<std::string> get_atom_ids() const;
/// \brief Return the list of atoms having ID \a atomID
std::vector<atom> get_atoms_by_id(const std::string &atomID) const;
// some routines for 3d work
std::tuple<point, float> center_and_radius() const;
friend std::ostream &operator<<(std::ostream &os, const residue &res);
bool operator==(const residue &rhs) const
{
return this == &rhs or (m_structure == rhs.m_structure and
m_seq_id == rhs.m_seq_id and
m_asym_id == rhs.m_asym_id and
m_compound_id == rhs.m_compound_id and
m_auth_seq_id == rhs.m_auth_seq_id);
}
protected:
residue() {}
const structure *m_structure = nullptr;
std::string m_compound_id, m_asym_id;
int m_seq_id = 0;
std::string m_auth_asym_id, m_auth_seq_id, m_pdb_ins_code;
std::vector<atom> m_atoms;
};
// --------------------------------------------------------------------
// a monomer models a single residue in a protein chain
class monomer : public residue
{
public:
// monomer();
monomer(const monomer &rhs) = delete;
monomer &operator=(const monomer &rhs) = delete;
monomer(monomer &&rhs);
monomer &operator=(monomer &&rhs);
monomer(const polymer &polymer, size_t index, int seqID, const std::string &authSeqID,
const std::string &pdbInsCode, const std::string &compoundID);
bool is_first_in_chain() const;
bool is_last_in_chain() const;
// convenience
bool has_alpha() const;
bool has_kappa() const;
// Assuming this is really an amino acid...
float phi() const;
float psi() const;
float alpha() const;
float kappa() const;
float tco() const;
float omega() const;
// torsion angles
size_t nr_of_chis() const;
float chi(size_t i) const;
bool is_cis() const;
/// \brief Returns true if the four atoms C, CA, N and O are present
bool is_complete() const;
/// \brief Returns true if any of the backbone atoms has an alternate
bool has_alternate_backbone_atoms() const;
atom CAlpha() const { return get_atom_by_atom_id("CA"); }
atom C() const { return get_atom_by_atom_id("C"); }
atom N() const { return get_atom_by_atom_id("N"); }
atom O() const { return get_atom_by_atom_id("O"); }
atom H() const { return get_atom_by_atom_id("H"); }
bool is_bonded_to(const monomer &rhs) const
{
return this != &rhs and are_bonded(*this, rhs);
}
static bool are_bonded(const monomer &a, const monomer &b, float errorMargin = 0.5f);
static bool is_cis(const monomer &a, const monomer &b);
static float omega(const monomer &a, const monomer &b);
// for LEU and VAL
float chiral_volume() const;
bool operator==(const monomer &rhs) const
{
return m_polymer == rhs.m_polymer and m_index == rhs.m_index;
}
private:
const polymer *m_polymer;
size_t m_index;
};
// --------------------------------------------------------------------
class polymer : public std::vector<monomer>
{
public:
polymer(const structure &s, const std::string &entityID, const std::string &asymID, const std::string &auth_asym_id);
polymer(const polymer &) = delete;
polymer &operator=(const polymer &) = delete;
// monomer &getBySeqID(int seqID);
// const monomer &getBySeqID(int seqID) const;
const structure *get_structure() const { return m_structure; }
std::string get_asym_id() const { return m_asym_id; }
std::string get_auth_asym_id() const { return m_auth_asym_id; } // The PDB chain ID, actually
std::string get_entity_id() const { return m_entity_id; }
// int Distance(const monomer &a, const monomer &b) const;
private:
const structure *m_structure;
std::string m_entity_id;
std::string m_asym_id;
std::string m_auth_asym_id;
};
// --------------------------------------------------------------------
// sugar and branch, to describe glycosylation sites
class branch;
class sugar : public residue
{
public:
sugar(const branch &branch, const std::string &compoundID,
const std::string &asymID, int authSeqID);
sugar(sugar &&rhs);
sugar &operator=(sugar &&rhs);
int num() const {
int result;
auto r = std::from_chars(m_auth_seq_id.data(), m_auth_seq_id.data() + m_auth_seq_id.length(), result);
if (r.ec != std::errc())
throw std::runtime_error("The auth_seq_id should be a number for a sugar");
return result;
}
std::string name() const;
/// \brief Return the atom the C1 is linked to
atom get_link() const { return m_link; }
void set_link(atom link) { m_link = link; }
size_t get_link_nr() const
{
size_t result = 0;
if (m_link)
result = m_link.get_property_int("auth_seq_id");
return result;
}
private:
const branch *m_branch;
atom m_link;
};
class branch : public std::vector<sugar>
{
public:
branch(structure &structure, const std::string &asymID);
void link_atoms();
std::string name() const;
float weight() const;
std::string get_asym_id() const { return m_asym_id; }
structure &get_structure() { return *m_structure; }
const structure &get_structure() const { return *m_structure; }
sugar &getSugarByNum(int nr);
const sugar &getSugarByNum(int nr) const;
private:
friend sugar;
std::string name(const sugar &s) const;
structure *m_structure;
std::string m_asym_id;
};
// // --------------------------------------------------------------------
// // file is a reference to the data stored in e.g. the cif file.
// // This object is not copyable.
// class File : public file
// {
// public:
// File() {}
// // File(const std::filesystem::path &path)
// // {
// // load(path);
// // }
// // File(const char *data, size_t length)
// // {
// // load(data, length);
// // }
// File(const File &) = delete;
// File &operator=(const File &) = delete;
// // void load(const std::filesystem::path &p) override;
// // void save(const std::filesystem::path &p) override;
// // using file::load;
// // using file::save;
// datablock &data() { return front(); }
// };
// --------------------------------------------------------------------
enum class StructureOpenOptions
{
SkipHydrogen = 1 << 0
};
inline bool operator&(StructureOpenOptions a, StructureOpenOptions b)
{
return static_cast<int>(a) bitand static_cast<int>(b);
}
// --------------------------------------------------------------------
class structure
{
public:
structure(file &p, size_t modelNr = 1, StructureOpenOptions options = {});
structure(datablock &db, size_t modelNr = 1, StructureOpenOptions options = {});
structure(structure &&s) = default;
// Create a read-only clone of the current structure (for multithreaded calculations that move atoms)
// NOTE: removed, simply create a new structure for each thread
structure(const structure &) = delete;
structure &operator=(const structure &) = delete;
// Structure &operator=(Structure &&s) = default;
~structure() = default;
size_t get_model_nr() const { return m_model_nr; }
const std::vector<atom> &atoms() const { return m_atoms; }
// std::vector<atom> &atoms() { return m_atoms; }
EntityType get_entity_type_for_entity_id(const std::string entityID) const;
EntityType get_entity_type_for_asym_id(const std::string asymID) const;
// std::vector<atom> waters() const;
const std::list<polymer> &polymers() const { return m_polymers; }
std::list<polymer> &polymers() { return m_polymers; }
polymer &get_polymer_by_asym_id(const std::string &asymID);
const polymer &get_polymer_by_asym_id(const std::string &asymID) const
{
return const_cast<structure *>(this)->get_polymer_by_asym_id(asymID);
}
const std::list<branch> &branches() const { return m_branches; }
std::list<branch> &branches() { return m_branches; }
branch &get_branch_by_asym_id(const std::string &asymID);
const branch &get_branch_by_asym_id(const std::string &asymID) const;
const std::vector<residue> &non_polymers() const { return m_non_polymers; }
atom get_atom_by_id(const std::string &id) const;
// atom getAtomByLocation(point pt, float maxDistance) const;
atom get_atom_by_label(const std::string &atomID, const std::string &asymID,
const std::string &compID, int seqID, const std::string &altID = "");
// /// \brief Return the atom closest to point \a p
atom get_atom_by_position(point p) const;
/// \brief Return the atom closest to point \a p with atom type \a type in a residue of type \a res_type
atom get_atom_by_position_and_type(point p, std::string_view type, std::string_view res_type) const;
/// \brief Get a non-poly residue for an asym with id \a asymID
residue &get_residue(const std::string &asymID)
{
return get_residue(asymID, 0, "");
}
/// \brief Get a non-poly residue for an asym with id \a asymID
const residue &get_residue(const std::string &asymID) const
{
return get_residue(asymID, 0, "");
}
/// \brief Get a residue for an asym with id \a asymID seq id \a seqID and authSeqID \a authSeqID
residue &get_residue(const std::string &asymID, int seqID, const std::string &authSeqID);
/// \brief Get a the single residue for an asym with id \a asymID seq id \a seqID and authSeqID \a authSeqID
const residue &get_residue(const std::string &asymID, int seqID, const std::string &authSeqID) const
{
return const_cast<structure *>(this)->get_residue(asymID, seqID, authSeqID);
}
/// \brief Get a residue for an asym with id \a asymID, compound id \a compID, seq id \a seqID and authSeqID \a authSeqID
residue &get_residue(const std::string &asymID, const std::string &compID, int seqID, const std::string &authSeqID);
/// \brief Get a residue for an asym with id \a asymID, compound id \a compID, seq id \a seqID and authSeqID \a authSeqID
const residue &get_residue(const std::string &asymID, const std::string &compID, int seqID, const std::string &authSeqID) const
{
return const_cast<structure *>(this)->get_residue(asymID, compID, seqID, authSeqID);
}
/// \brief Get a the residue for atom \a atom
residue &get_residue(const atom &atom)
{
return get_residue(atom.get_label_asym_id(), atom.get_label_comp_id(), atom.get_label_seq_id(), atom.get_auth_seq_id());
}
/// \brief Get a the residue for atom \a atom
const residue &get_residue(const atom &atom) const
{
return get_residue(atom.get_label_asym_id(), atom.get_label_comp_id(), atom.get_label_seq_id(), atom.get_auth_seq_id());
}
// Actions
void remove_atom(atom &a)
{
remove_atom(a, true);
}
void swap_atoms(atom a1, atom a2); // swap the labels for these atoms
void move_atom(atom a, point p); // move atom to a new location
void change_residue(residue &res, const std::string &newcompound,
const std::vector<std::tuple<std::string, std::string>> &remappedAtoms);
/// \brief Remove a residue, can be monomer or nonpoly
///
/// \param asym_id The asym ID
/// \param seq_id The sequence ID
void remove_residue(const std::string &asym_id, int seq_id, const std::string &auth_seq_id)
{
remove_residue(get_residue(asym_id, seq_id, auth_seq_id));
}
/// \brief Create a new non-polymer entity, returns new ID
/// \param mon_id The mon_id for the new nonpoly, must be an existing and known compound from CCD
/// \return The ID of the created entity
std::string create_non_poly_entity(const std::string &mon_id);
/// \brief Create a new NonPolymer struct_asym with atoms constructed from \a atoms, returns asym_id.
/// This method assumes you are copying data from one cif file to another.
///
/// \param entity_id The entity ID of the new nonpoly
/// \param atoms The array of atom_site rows containing the data.
/// \return The newly create asym ID
std::string create_non_poly(const std::string &entity_id, const std::vector<atom> &atoms);
/// \brief Create a new NonPolymer struct_asym with atoms constructed from info in \a atom_info, returns asym_id.
/// This method creates new atom records filled with info from the info.
///
/// \param entity_id The entity ID of the new nonpoly
/// \param atoms The array of sets of item data containing the data for the atoms.
/// \return The newly create asym ID
std::string create_non_poly(const std::string &entity_id, std::vector<row_initializer> atoms);
/// \brief Create a new (sugar) branch with one first NAG containing atoms constructed from \a atoms
branch &create_branch(std::vector<row_initializer> atoms);
/// \brief Extend an existing (sugar) branch identified by \a asymID with one sugar containing atoms constructed from \a atom_info
///
/// \param asym_id The asym id of the branch to extend
/// \param atom_info Array containing the info for the atoms to construct for the new sugar
/// \param link_sugar The sugar to link to, note: this is the sugar number (1 based)
/// \param link_atom The atom id of the atom linked in the sugar
branch &extend_branch(const std::string &asym_id, std::vector<row_initializer> atom_info,
int link_sugar, const std::string &link_atom);
/// \brief Remove \a branch
void remove_branch(branch &branch);
/// \brief Remove residue \a res
///
/// \param res The residue to remove
void remove_residue(residue &res);
/// \brief Translate the coordinates of all atoms in the structure by \a t
void translate(point t);
/// \brief Rotate the coordinates of all atoms in the structure by \a q
void rotate(quaternion t);
/// \brief Translate and rotate the coordinates of all atoms in the structure by \a t and \a q
void translate_and_rotate(point t, quaternion q);
/// \brief Translate, rotate and translate again the coordinates of all atoms in the structure by \a t1 , \a q and \a t2
void translate_rotate_and_translate(point t1, quaternion q, point t2);
void cleanup_empty_categories();
/// \brief Direct access to underlying data
category &get_category(std::string_view name) const
{
return m_db[name];
}
datablock &get_datablock() const
{
return m_db;
}
void validate_atoms() const;
private:
friend polymer;
friend residue;
std::string insert_compound(const std::string &compoundID, bool is_entity);
std::string create_entity_for_branch(branch &branch);
void load_data();
void load_atoms_for_model(StructureOpenOptions options);
template <typename... Args>
atom &emplace_atom(Args... args)
{
return emplace_atom(atom{ std::forward<Args>(args)... });
}
atom &emplace_atom(atom &&atom);
void remove_atom(atom &a, bool removeFromResidue);
void remove_sugar(sugar &sugar);
datablock &m_db;
size_t m_model_nr;
std::vector<atom> m_atoms;
std::vector<size_t> m_atom_index;
std::list<polymer> m_polymers;
std::list<branch> m_branches;
std::vector<residue> m_non_polymers;
};
} // namespace cif::mm

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <map>
#include <cif++/row.hpp>
namespace cif
{
// --------------------------------------------------------------------
class parse_error : public std::runtime_error
{
public:
parse_error(uint32_t line_nr, const std::string &message)
: std::runtime_error("parse error at line " + std::to_string(line_nr) + ": " + message)
{
}
};
// --------------------------------------------------------------------
// TODO: Need to implement support for transformed long lines
class sac_parser
{
public:
using datablock_index = std::map<std::string, std::size_t>;
sac_parser(std::istream &is, bool init = true);
virtual ~sac_parser() = default;
enum CharTraitsMask : uint8_t
{
kOrdinaryMask = 1 << 0,
kNonBlankMask = 1 << 1,
kTextLeadMask = 1 << 2,
kAnyPrintMask = 1 << 3
};
static bool is_white(int ch)
{
return std::isspace(ch) or ch == '#';
}
static constexpr bool is_ordinary(int ch)
{
return ch >= 0x20 and ch <= 0x7f and (kCharTraitsTable[ch - 0x20] & kOrdinaryMask) != 0;
}
static constexpr bool is_non_blank(int ch)
{
return ch > 0x20 and ch <= 0x7f and (kCharTraitsTable[ch - 0x20] & kNonBlankMask) != 0;
}
static constexpr bool is_text_lead(int ch)
{
return ch >= 0x20 and ch <= 0x7f and (kCharTraitsTable[ch - 0x20] & kTextLeadMask) != 0;
}
static constexpr bool is_any_print(int ch)
{
return ch == '\t' or
(ch >= 0x20 and ch <= 0x7f and (kCharTraitsTable[ch - 0x20] & kAnyPrintMask) != 0);
}
static bool is_unquoted_string(std::string_view text)
{
auto s = text.begin();
bool result = is_ordinary(*s++);
while (result and s != text.end())
{
result = is_non_blank(*s);
++s;
}
// but be careful it does not contain e.g. stop_
if (result)
{
static const std::regex reservedRx(R"((^(?:data|save)|.*(?:loop|stop|global))_.+)", std::regex_constants::icase);
result = not std::regex_match(text.begin(), text.end(), reservedRx);
}
return result;
}
protected:
static constexpr uint8_t kCharTraitsTable[128] = {
// 0 1 2 3 4 5 6 7 8 9 a b c d e f
14, 15, 14, 14, 14, 15, 15, 14, 15, 15, 15, 15, 15, 15, 15, 15, // 2
15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 10, 15, 15, 15, 15, // 3
15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, // 4
15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 14, 15, 14, 15, 14, // 5
15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, // 6
15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 0, // 7
};
enum class CIFToken
{
Unknown,
Eof,
DATA,
LOOP,
GLOBAL,
SAVE,
STOP,
Tag,
Value
};
static constexpr const char *get_token_name(CIFToken token)
{
switch (token)
{
case CIFToken::Unknown: return "Unknown";
case CIFToken::Eof: return "Eof";
case CIFToken::DATA: return "DATA";
case CIFToken::LOOP: return "LOOP";
case CIFToken::GLOBAL: return "GLOBAL";
case CIFToken::SAVE: return "SAVE";
case CIFToken::STOP: return "STOP";
case CIFToken::Tag: return "Tag";
case CIFToken::Value: return "Value";
default: return "Invalid token parameter";
}
}
enum class CIFValue
{
Int,
Float,
Numeric,
String,
TextField,
Inapplicable,
Unknown
};
static constexpr const char *get_value_name(CIFValue type)
{
switch (type)
{
case CIFValue::Int: return "Int";
case CIFValue::Float: return "Float";
case CIFValue::Numeric: return "Numeric";
case CIFValue::String: return "String";
case CIFValue::TextField: return "TextField";
case CIFValue::Inapplicable: return "Inapplicable";
case CIFValue::Unknown: return "Unknown";
default: return "Invalid type parameter";
}
}
// get_next_char takes a char from the buffer, or if it is empty
// from the istream. This function also does carriage/linefeed
// translation.
int get_next_char();
void retract();
int restart(int start);
CIFToken get_next_token();
void match(CIFToken token);
public:
bool parse_single_datablock(const std::string &datablock);
datablock_index index_datablocks();
bool parse_single_datablock(const std::string &datablock, const datablock_index &index);
void parse_file();
protected:
void parse_global();
void parse_datablock();
virtual void parse_save_frame();
void error(const std::string &msg)
{
if (cif::VERBOSE > 0)
std::cerr << "Error parsing mmCIF: " << msg << std::endl;
throw parse_error(m_line_nr, msg);
}
void warning(const std::string &msg)
{
if (cif::VERBOSE > 0)
std::cerr << "parser warning at line " << m_line_nr << ": " << msg << std::endl;
}
// production methods, these are pure virtual here
virtual void produce_datablock(const std::string &name) = 0;
virtual void produce_category(const std::string &name) = 0;
virtual void produce_row() = 0;
virtual void produce_item(const std::string &category, const std::string &item, const std::string &value) = 0;
protected:
enum State
{
Start,
White,
Esc,
Comment,
QuestionMark,
Dot,
QuotedString,
QuotedStringQuote,
UnquotedString,
Tag,
TextField,
Float = 100,
Int = 110,
Value = 300,
DATA,
SAVE
};
std::streambuf &m_source;
// Parser state
bool m_validate;
uint32_t m_line_nr;
bool m_bol;
CIFToken m_lookahead;
std::string m_token_value;
CIFValue mTokenType;
std::vector<int> m_buffer; // retract buffer, used to be a stack<char>
};
// --------------------------------------------------------------------
class parser : public sac_parser
{
public:
parser(std::istream &is, file &file)
: sac_parser(is)
, m_file(file)
{
}
void produce_datablock(const std::string &name) override;
void produce_category(const std::string &name) override;
void produce_row() override;
void produce_item(const std::string &category, const std::string &item, const std::string &value) override;
protected:
file &m_file;
datablock *m_datablock = nullptr;
category *m_category = nullptr;
row_handle m_row;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++.hpp>
namespace cif::pdb
{
/// \brief Just the HEADER, COMPND, SOURCE and AUTHOR lines
void write_header_lines(std::ostream &os, const datablock &data);
std::string get_HEADER_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_COMPND_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_SOURCE_line(const datablock &data, std::string::size_type truncate_at = 127);
std::string get_AUTHOR_line(const datablock &data, std::string::size_type truncate_at = 127);
} // namespace pdbx

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++.hpp>
namespace cif::pdb
{
/// \brief Read a file in either mmCIF or PDB format, compressed or not,
/// depending on the content.
file read(const std::filesystem::path &file);
/// \brief Read a file in either mmCIF or PDB format, compressed or not,
/// depending on the content.
file read(std::istream &is);
/// \brief Write out a file in PDB format
void write(std::ostream &os, const datablock &db);
/// \brief Write out a file in PDB format
inline void write(std::ostream &os, const file &f)
{
write(os, f.front());
}
/// \brief Write out a file in PDB format or mmCIF format, depending on the filename extension
void write(const std::filesystem::path &file, const datablock &db);
/// \brief Write out a file in PDB format or mmCIF format, depending on the filename extension
inline void write(const std::filesystem::path &p, const file &f)
{
write(p, f.front());
}
}

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++.hpp>
namespace cif::pdb
{
// --------------------------------------------------------------------
struct PDBRecord
{
PDBRecord *mNext;
uint32_t mLineNr;
char mName[11];
size_t mVlen;
char mValue[1];
PDBRecord(uint32_t lineNr, const std::string &name, const std::string &value);
~PDBRecord();
void *operator new(size_t);
void *operator new(size_t size, size_t vLen);
void operator delete(void *p);
void operator delete(void *p, size_t vLen);
bool is(const char *name) const;
char vC(size_t column);
std::string vS(size_t columnFirst, size_t columnLast = std::numeric_limits<size_t>::max());
int vI(int columnFirst, int columnLast);
std::string vF(size_t columnFirst, size_t columnLast);
};
// --------------------------------------------------------------------
void ReadPDBFile(std::istream &pdbFile, file &cifFile);
} // namespace pdbx

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/pdb/pdb2cif.hpp>
// --------------------------------------------------------------------
namespace cif::pdb
{
struct TemplateLine;
class Remark3Parser
{
public:
virtual ~Remark3Parser() {}
static bool parse(const std::string &expMethod, PDBRecord *r, cif::datablock &db);
virtual std::string program();
virtual std::string version();
protected:
Remark3Parser(const std::string &name, const std::string &expMethod, PDBRecord *r, cif::datablock &db,
const TemplateLine templatelines[], uint32_t templateLineCount, std::regex programVersion);
virtual float parse();
std::string nextLine();
bool match(const char *expr, int nextState);
void storeCapture(const char *category, std::initializer_list<const char *> items, bool createNew = false);
void storeRefineLsRestr(const char *type, std::initializer_list<const char *> values);
void updateRefineLsRestr(const char *type, std::initializer_list<const char *> values);
virtual void fixup() {}
std::string mName;
std::string mExpMethod;
PDBRecord *mRec;
cif::datablock mDb;
std::string mLine;
std::smatch mM;
uint32_t mState;
const TemplateLine *mTemplate;
uint32_t mTemplateCount;
std::regex mProgramVersion;
};
} // namespace pdbx

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <string>
#include <tuple>
#include <vector>
#include <cif++.hpp>
namespace cif
{
extern const int
kResidueNrWildcard,
kNoSeqNum;
struct tls_selection;
struct tls_residue;
struct tls_selection
{
virtual ~tls_selection() {}
virtual void collect_residues(cif::datablock &db, std::vector<tls_residue> &residues, std::size_t indentLevel = 0) const = 0;
std::vector<std::tuple<std::string, int, int>> get_ranges(cif::datablock &db, bool pdbNamespace) const;
};
// Low level: get the selections
std::unique_ptr<tls_selection> parse_tls_selection_details(const std::string &program, const std::string &selection);
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cmath>
#include <complex>
#include <functional>
#include <valarray>
#if __has_include(<clipper/core/coords.h>)
#define HAVE_LIBCLIPPER 1
#include <clipper/core/coords.h>
#endif
namespace cif
{
// --------------------------------------------------------------------
const double
kPI = 3.141592653589793238462643383279502884;
// --------------------------------------------------------------------
// A stripped down quaternion implementation, based on boost::math::quaternion
// We use quaternions to do rotations in 3d space
template <typename T>
class quaternion_type
{
public:
using value_type = T;
constexpr explicit quaternion_type(value_type const &value_a = value_type(), value_type const &value_b = value_type(), value_type const &value_c = value_type(), value_type const &value_d = value_type())
: a(value_a)
, b(value_b)
, c(value_c)
, d(value_d)
{
}
constexpr explicit quaternion_type(std::complex<value_type> const &z0, std::complex<value_type> const &z1 = std::complex<value_type>())
: a(z0.real())
, b(z0.imag())
, c(z1.real())
, d(z1.imag())
{
}
constexpr quaternion_type(quaternion_type const &) = default;
constexpr quaternion_type(quaternion_type &&) = default;
template <typename X>
constexpr explicit quaternion_type(quaternion_type<X> const &rhs)
: a(static_cast<value_type>(rhs.a))
, b(static_cast<value_type>(rhs.b))
, c(static_cast<value_type>(rhs.c))
, d(static_cast<value_type>(rhs.d))
{
}
// accessors
//
// Note: Like complex number, quaternions do have a meaningful notion of "real part",
// but unlike them there is no meaningful notion of "imaginary part".
// Instead there is an "unreal part" which itself is a quaternion, and usually
// nothing simpler (as opposed to the complex number case).
// However, for practicality, there are accessors for the other components
// (these are necessary for the templated copy constructor, for instance).
constexpr value_type real() const
{
return a;
}
constexpr quaternion_type unreal() const
{
return { 0, b, c, d };
}
constexpr void swap(quaternion_type &o)
{
std::swap(a, o.a);
std::swap(b, o.b);
std::swap(c, o.c);
std::swap(d, o.d);
}
// assignment operators
template <typename X>
constexpr quaternion_type &operator=(quaternion_type<X> const &rhs)
{
a = static_cast<value_type>(rhs.a);
b = static_cast<value_type>(rhs.b);
c = static_cast<value_type>(rhs.c);
d = static_cast<value_type>(rhs.d);
return *this;
}
constexpr quaternion_type &operator=(quaternion_type const &rhs)
{
a = rhs.a;
b = rhs.b;
c = rhs.c;
d = rhs.d;
return *this;
}
constexpr quaternion_type &operator=(value_type const &rhs)
{
a = rhs;
b = c = d = static_cast<value_type>(0);
return *this;
}
constexpr quaternion_type &operator=(std::complex<value_type> const &rhs)
{
a = rhs.real();
b = rhs.imag();
c = d = static_cast<value_type>(0);
return *this;
}
// other assignment-related operators
//
// NOTE: Quaternion multiplication is *NOT* commutative;
// symbolically, "q *= rhs;" means "q = q * rhs;"
// and "q /= rhs;" means "q = q * inverse_of(rhs);"
constexpr quaternion_type &operator+=(value_type const &rhs)
{
a += rhs;
return *this;
}
constexpr quaternion_type &operator+=(std::complex<value_type> const &rhs)
{
a += std::real(rhs);
b += std::imag(rhs);
return *this;
}
template <class X>
constexpr quaternion_type &operator+=(quaternion_type<X> const &rhs)
{
a += rhs.a;
b += rhs.b;
c += rhs.c;
d += rhs.d;
return *this;
}
constexpr quaternion_type &operator-=(value_type const &rhs)
{
a -= rhs;
return *this;
}
constexpr quaternion_type &operator-=(std::complex<value_type> const &rhs)
{
a -= std::real(rhs);
b -= std::imag(rhs);
return *this;
}
template <class X>
constexpr quaternion_type &operator-=(quaternion_type<X> const &rhs)
{
a -= rhs.a;
b -= rhs.b;
c -= rhs.c;
d -= rhs.d;
return *this;
}
constexpr quaternion_type &operator*=(value_type const &rhs)
{
a *= rhs;
b *= rhs;
c *= rhs;
d *= rhs;
return *this;
}
constexpr quaternion_type &operator*=(std::complex<value_type> const &rhs)
{
value_type ar = rhs.real();
value_type br = rhs.imag();
quaternion_type result(a * ar - b * br, a * br + b * ar, c * ar + d * br, -c * br + d * ar);
swap(result);
return *this;
}
constexpr friend quaternion_type operator*(const quaternion_type &a, const quaternion_type &b)
{
auto result = a;
result *= b;
return result;
}
template <typename X>
constexpr quaternion_type &operator*=(quaternion_type<X> const &rhs)
{
value_type ar = static_cast<value_type>(rhs.a);
value_type br = static_cast<value_type>(rhs.b);
value_type cr = static_cast<value_type>(rhs.c);
value_type dr = static_cast<value_type>(rhs.d);
quaternion_type result(a * ar - b * br - c * cr - d * dr, a * br + b * ar + c * dr - d * cr, a * cr - b * dr + c * ar + d * br, a * dr + b * cr - c * br + d * ar);
swap(result);
return *this;
}
constexpr quaternion_type &operator/=(value_type const &rhs)
{
a /= rhs;
b /= rhs;
c /= rhs;
d /= rhs;
return *this;
}
constexpr quaternion_type &operator/=(std::complex<value_type> const &rhs)
{
value_type ar = rhs.real();
value_type br = rhs.imag();
value_type denominator = ar * ar + br * br;
quaternion_type result((+a * ar + b * br) / denominator, (-a * br + b * ar) / denominator, (+c * ar - d * br) / denominator, (+c * br + d * ar) / denominator);
swap(result);
return *this;
}
template <typename X>
constexpr quaternion_type &operator/=(quaternion_type<X> const &rhs)
{
value_type ar = static_cast<value_type>(rhs.a);
value_type br = static_cast<value_type>(rhs.b);
value_type cr = static_cast<value_type>(rhs.c);
value_type dr = static_cast<value_type>(rhs.d);
value_type denominator = ar * ar + br * br + cr * cr + dr * dr;
quaternion_type result((+a * ar + b * br + c * cr + d * dr) / denominator, (-a * br + b * ar - c * dr + d * cr) / denominator, (-a * cr + b * dr + c * ar - d * br) / denominator, (-a * dr - b * cr + c * br + d * ar) / denominator);
swap(result);
return *this;
}
constexpr friend quaternion_type normalize(quaternion_type q)
{
std::valarray<value_type> t(4);
t[0] = q.a;
t[1] = q.b;
t[2] = q.c;
t[3] = q.d;
t *= t;
value_type length = std::sqrt(t.sum());
if (length > 0.001)
q /= static_cast<value_type>(length);
else
q = quaternion_type(1, 0, 0, 0);
return q;
}
constexpr friend quaternion_type conj(quaternion_type q)
{
return quaternion_type{ +q.a, -q.b, -q.c, -q.d };
}
constexpr value_type get_a() const { return a; }
constexpr value_type get_b() const { return b; }
constexpr value_type get_c() const { return c; }
constexpr value_type get_d() const { return d; }
private:
value_type a, b, c, d;
};
template <typename T>
inline quaternion_type<T> spherical(T const &rho, T const &theta, T const &phi1, T const &phi2)
{
T cos_phi1 = std::cos(phi1);
T cos_phi2 = std::cos(phi2);
T a = std::cos(theta) * cos_phi1 * cos_phi2;
T b = std::sin(theta) * cos_phi1 * cos_phi2;
T c = std::sin(phi1) * cos_phi2;
T d = std::sin(phi2);
quaternion_type result(a, b, c, d);
result *= rho;
return result;
}
using quaternion = quaternion_type<float>;
// --------------------------------------------------------------------
// point, a location with x, y and z coordinates as floating point.
// This one is derived from a tuple<float,float,float> so
// you can do things like:
//
// float x, y, z;
// tie(x, y, z) = atom.loc();
template <typename F>
struct point_type
{
using value_type = F;
value_type m_x, m_y, m_z;
constexpr point_type()
: m_x(0)
, m_y(0)
, m_z(0)
{
}
constexpr point_type(value_type x, value_type y, value_type z)
: m_x(x)
, m_y(y)
, m_z(z)
{
}
template <typename PF>
constexpr point_type(const point_type<PF> &pt)
: m_x(static_cast<F>(pt.m_x))
, m_y(static_cast<F>(pt.m_y))
, m_z(static_cast<F>(pt.m_z))
{
}
constexpr point_type(const std::tuple<value_type, value_type, value_type> &pt)
: point_type(std::get<0>(pt), std::get<1>(pt), std::get<2>(pt))
{
}
#if HAVE_LIBCLIPPER
constexpr point_type(const clipper::Coord_orth &pt)
: m_x(pt[0])
, m_y(pt[1])
, m_z(pt[2])
{
}
constexpr point_type &operator=(const clipper::Coord_orth &rhs)
{
m_x = rhs[0];
m_y = rhs[1];
m_z = rhs[2];
return *this;
}
#endif
template <typename PF>
constexpr point_type &operator=(const point_type<PF> &rhs)
{
m_x = static_cast<F>(rhs.m_x);
m_y = static_cast<F>(rhs.m_y);
m_z = static_cast<F>(rhs.m_z);
return *this;
}
constexpr value_type &get_x() { return m_x; }
constexpr value_type get_x() const { return m_x; }
constexpr void set_x(value_type x) { m_x = x; }
constexpr value_type &get_y() { return m_y; }
constexpr value_type get_y() const { return m_y; }
constexpr void set_y(value_type y) { m_y = y; }
constexpr value_type &get_z() { return m_z; }
constexpr value_type get_z() const { return m_z; }
constexpr void set_z(value_type z) { m_z = z; }
constexpr point_type &operator+=(const point_type &rhs)
{
m_x += rhs.m_x;
m_y += rhs.m_y;
m_z += rhs.m_z;
return *this;
}
constexpr point_type &operator+=(value_type d)
{
m_x += d;
m_y += d;
m_z += d;
return *this;
}
constexpr point_type &operator-=(const point_type &rhs)
{
m_x -= rhs.m_x;
m_y -= rhs.m_y;
m_z -= rhs.m_z;
return *this;
}
constexpr point_type &operator-=(value_type d)
{
m_x -= d;
m_y -= d;
m_z -= d;
return *this;
}
constexpr point_type &operator*=(value_type rhs)
{
m_x *= rhs;
m_y *= rhs;
m_z *= rhs;
return *this;
}
constexpr point_type &operator/=(value_type rhs)
{
m_x /= rhs;
m_y /= rhs;
m_z /= rhs;
return *this;
}
constexpr value_type normalize()
{
auto length = m_x * m_x + m_y * m_y + m_z * m_z;
if (length > 0)
{
length = std::sqrt(length);
operator/=(length);
}
return length;
}
constexpr void rotate(const quaternion &q)
{
quaternion_type<value_type> p(0, m_x, m_y, m_z);
p = q * p * conj(q);
m_x = p.get_b();
m_y = p.get_c();
m_z = p.get_d();
}
#if HAVE_LIBCLIPPER
operator clipper::Coord_orth() const
{
return clipper::Coord_orth(m_x, m_y, m_z);
}
#endif
constexpr operator std::tuple<const value_type &, const value_type &, const value_type &>() const
{
return std::make_tuple(std::ref(m_x), std::ref(m_y), std::ref(m_z));
}
constexpr operator std::tuple<value_type &, value_type &, value_type &>()
{
return std::make_tuple(std::ref(m_x), std::ref(m_y), std::ref(m_z));
}
constexpr bool operator==(const point_type &rhs) const
{
return m_x == rhs.m_x and m_y == rhs.m_y and m_z == rhs.m_z;
}
// consider point as a vector... perhaps I should rename point?
constexpr value_type length_sq() const
{
return m_x * m_x + m_y * m_y + m_z * m_z;
}
constexpr value_type length() const
{
return std::sqrt(m_x * m_x + m_y * m_y + m_z * m_z);
}
};
using point = point_type<float>;
template <typename F>
inline constexpr std::ostream &operator<<(std::ostream &os, const point_type<F> &pt)
{
os << '(' << pt.m_x << ',' << pt.m_y << ',' << pt.m_z << ')';
return os;
}
template <typename F>
inline constexpr point_type<F> operator+(const point_type<F> &lhs, const point_type<F> &rhs)
{
return point_type<F>(lhs.m_x + rhs.m_x, lhs.m_y + rhs.m_y, lhs.m_z + rhs.m_z);
}
template <typename F>
inline constexpr point_type<F> operator-(const point_type<F> &lhs, const point_type<F> &rhs)
{
return point_type<F>(lhs.m_x - rhs.m_x, lhs.m_y - rhs.m_y, lhs.m_z - rhs.m_z);
}
template <typename F>
inline constexpr point_type<F> operator-(const point_type<F> &pt)
{
return point_type<F>(-pt.m_x, -pt.m_y, -pt.m_z);
}
template <typename F>
inline constexpr point_type<F> operator*(const point_type<F> &pt, F f)
{
return point_type<F>(pt.m_x * f, pt.m_y * f, pt.m_z * f);
}
template <typename F>
inline constexpr point_type<F> operator*(F f, const point_type<F> &pt)
{
return point_type<F>(pt.m_x * f, pt.m_y * f, pt.m_z * f);
}
template <typename F>
inline constexpr point_type<F> operator/(const point_type<F> &pt, F f)
{
return point_type<F>(pt.m_x / f, pt.m_y / f, pt.m_z / f);
}
// --------------------------------------------------------------------
// several standard 3d operations
template <typename F>
inline constexpr auto distance_squared(const point_type<F> &a, const point_type<F> &b)
{
return (a.m_x - b.m_x) * (a.m_x - b.m_x) +
(a.m_y - b.m_y) * (a.m_y - b.m_y) +
(a.m_z - b.m_z) * (a.m_z - b.m_z);
}
template <typename F>
inline constexpr auto distance(const point_type<F> &a, const point_type<F> &b)
{
return std::sqrt(
(a.m_x - b.m_x) * (a.m_x - b.m_x) +
(a.m_y - b.m_y) * (a.m_y - b.m_y) +
(a.m_z - b.m_z) * (a.m_z - b.m_z));
}
template <typename F>
inline constexpr auto dot_product(const point_type<F> &a, const point_type<F> &b)
{
return a.m_x * b.m_x + a.m_y * b.m_y + a.m_z * b.m_z;
}
template <typename F>
inline constexpr point_type<F> cross_product(const point_type<F> &a, const point_type<F> &b)
{
return point_type<F>(a.m_y * b.m_z - b.m_y * a.m_z,
a.m_z * b.m_x - b.m_z * a.m_x,
a.m_x * b.m_y - b.m_x * a.m_y);
}
template <typename F>
constexpr auto angle(const point_type<F> &p1, const point_type<F> &p2, const point_type<F> &p3)
{
point_type<F> v1 = p1 - p2;
point_type<F> v2 = p3 - p2;
return std::acos(dot_product(v1, v2) / (v1.length() * v2.length())) * 180 / kPI;
}
template <typename F>
constexpr auto dihedral_angle(const point_type<F> &p1, const point_type<F> &p2, const point_type<F> &p3, const point_type<F> &p4)
{
point_type<F> v12 = p1 - p2; // vector from p2 to p1
point_type<F> v43 = p4 - p3; // vector from p3 to p4
point_type<F> z = p2 - p3; // vector from p3 to p2
point_type<F> p = cross_product(z, v12);
point_type<F> x = cross_product(z, v43);
point_type<F> y = cross_product(z, x);
auto u = dot_product(x, x);
auto v = dot_product(y, y);
F result = 360;
if (u > 0 and v > 0)
{
u = dot_product(p, x) / std::sqrt(u);
v = dot_product(p, y) / std::sqrt(v);
if (u != 0 or v != 0)
result = std::atan2(v, u) * static_cast<F>(180 / kPI);
}
return result;
}
template <typename F>
constexpr auto cosinus_angle(const point_type<F> &p1, const point_type<F> &p2, const point_type<F> &p3, const point_type<F> &p4)
{
point_type<F> v12 = p1 - p2;
point_type<F> v34 = p3 - p4;
auto x = dot_product(v12, v12) * dot_product(v34, v34);
return x > 0 ? dot_product(v12, v34) / std::sqrt(x) : 0;
}
template <typename F>
constexpr auto distance_point_to_line(const point_type<F> &l1, const point_type<F> &l2, const point_type<F> &p)
{
auto line = l2 - l1;
auto p_to_l1 = p - l1;
auto p_to_l2 = p - l2;
auto cross = cross_product(p_to_l1, p_to_l2);
return cross.length() / line.length();
}
// --------------------------------------------------------------------
// For e.g. simulated annealing, returns a new point that is moved in
// a random direction with a distance randomly chosen from a normal
// distribution with a stddev of offset.
point nudge(point p, float offset);
// --------------------------------------------------------------------
quaternion construct_from_angle_axis(float angle, point axis);
std::tuple<double, point> quaternion_to_angle_axis(quaternion q);
point centroid(const std::vector<point> &Points);
point center_points(std::vector<point> &Points);
/// \brief Returns how the two sets of points \a a and \b b can be aligned
///
/// \param a The first set of points
/// \param b The second set of points
/// \result The quaternion which should be applied to the points in \a a to
/// obtain the best superposition.
quaternion align_points(const std::vector<point> &a, const std::vector<point> &b);
/// \brief The RMSd for the points in \a a and \a b
double RMSd(const std::vector<point> &a, const std::vector<point> &b);
// --------------------------------------------------------------------
// Helper class to generate evenly divided points on a sphere
// we use a fibonacci sphere to calculate even distribution of the dots
template <int N>
class spherical_dots
{
public:
constexpr static int P = 2 * N * 1;
using array_type = typename std::array<point, P>;
using iterator = typename array_type::const_iterator;
static spherical_dots &instance()
{
static spherical_dots sInstance;
return sInstance;
}
size_t size() const { return m_points.size(); }
const point operator[](uint32_t inIx) const { return m_points[inIx]; }
iterator begin() const { return m_points.begin(); }
iterator end() const { return m_points.end(); }
double weight() const { return m_weight; }
spherical_dots()
{
const double
kGoldenRatio = (1 + std::sqrt(5.0)) / 2;
m_weight = (4 * kPI) / P;
auto p = m_points.begin();
for (int32_t i = -N; i <= N; ++i)
{
double lat = std::asin((2.0 * i) / P);
double lon = std::fmod(i, kGoldenRatio) * 2 * kPI / kGoldenRatio;
p->m_x = std::sin(lon) * std::cos(lat);
p->m_y = std::cos(lon) * std::cos(lat);
p->m_z = std::sin(lat);
++p;
}
}
private:
array_type m_points;
double m_weight;
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <cif++/item.hpp>
namespace cif
{
namespace detail
{
// some helper classes to help create tuple result types
template <typename... C>
struct get_row_result
{
static constexpr size_t N = sizeof...(C);
get_row_result(const row_handle &r, std::array<uint16_t, N> &&columns)
: m_row(r)
, m_columns(std::move(columns))
{
}
const item_handle operator[](uint16_t ix) const
{
return m_row[m_columns[ix]];
}
template <typename... Ts, std::enable_if_t<N == sizeof...(Ts), int> = 0>
operator std::tuple<Ts...>() const
{
return get<Ts...>(std::index_sequence_for<Ts...>{});
}
template <typename... Ts, size_t... Is>
std::tuple<Ts...> get(std::index_sequence<Is...>) const
{
return std::tuple<Ts...>{ m_row[m_columns[Is]].template as<Ts>()... };
}
const row_handle &m_row;
std::array<uint16_t, N> m_columns;
};
// we want to be able to tie some variables to a get_row_result, for this we use tiewraps
template <typename... Ts>
struct tie_wrap
{
tie_wrap(Ts... args)
: m_value(args...)
{
}
template <typename RR>
void operator=(const RR &&rr)
{
// get_row_result will do the conversion, but only if the types
// are compatible. That means the number of parameters to the get()
// of the row should be equal to the number of items in the tuple
// you are trying to tie.
using RType = std::tuple<typename std::remove_reference<Ts>::type...>;
m_value = static_cast<RType>(rr);
}
std::tuple<Ts...> m_value;
};
} // namespace detail
template <typename... Ts>
auto tie(Ts &...v)
{
return detail::tie_wrap<Ts &...>(std::forward<Ts &>(v)...);
}
// --------------------------------------------------------------------
/// \brief the row class, this one is not directly accessible from the outside
class row : public std::vector<item_value>
{
public:
row() = default;
item_value* get(uint16_t ix)
{
return ix < size() ? &at(ix) : nullptr;
}
const item_value* get(uint16_t ix) const
{
return ix < size() ? &at(ix) : nullptr;
}
private:
friend class category;
friend class category_index;
template <typename, typename...>
friend class iterator_impl;
void append(uint16_t ix, item_value &&iv)
{
if (ix >= size())
resize(ix + 1);
at(ix) = std::move(iv);
}
void remove(uint16_t ix)
{
if (ix < size())
at(ix) = item_value{};
}
row *m_next = nullptr;
};
// --------------------------------------------------------------------
/// \brief row_handle is the way to access data stored in rows
class row_handle
{
public:
friend struct item_handle;
friend class category;
friend class category_index;
friend class row_initializer;
row_handle() = default;
row_handle(const row_handle &) = default;
row_handle(row_handle &&) = default;
row_handle &operator=(const row_handle &) = default;
row_handle &operator=(row_handle &&) = default;
row_handle(const category &cat, const row &r)
: m_category(const_cast<category *>(&cat))
, m_row(const_cast<row *>(&r))
{
}
const category &get_category() const
{
return *m_category;
}
bool empty() const
{
return m_category == nullptr or m_row == nullptr;
}
explicit operator bool() const
{
return not empty();
}
item_handle operator[](uint16_t column_ix)
{
return empty() ? item_handle::s_null_item : item_handle(column_ix, *this);
}
const item_handle operator[](uint16_t column_ix) const
{
return empty() ? item_handle::s_null_item : item_handle(column_ix, const_cast<row_handle &>(*this));
}
item_handle operator[](std::string_view column_name)
{
return empty() ? item_handle::s_null_item : item_handle(add_column(column_name), *this);
}
const item_handle operator[](std::string_view column_name) const
{
return empty() ? item_handle::s_null_item : item_handle(get_column_ix(column_name), const_cast<row_handle &>(*this));
}
template <typename... C>
auto get(C... columns) const
{
return detail::get_row_result<C...>(*this, { get_column_ix(columns)... });
}
template <typename... Ts, typename... C, std::enable_if_t<sizeof...(Ts) == sizeof...(C), int> = 0>
std::tuple<Ts...> get(C... columns) const
{
return detail::get_row_result<Ts...>(*this, { get_column_ix(columns)... });
}
template <typename T>
T get(const char *column)
{
return operator[](get_column_ix(column)).template as<T>();
}
void assign(const std::vector<item> &values)
{
for (auto &value : values)
assign(value, true);
}
void assign(std::string_view name, std::string_view value, bool updateLinked, bool validate = true)
{
assign(add_column(name), value, updateLinked, validate);
}
void assign(uint16_t column, std::string_view value, bool updateLinked, bool validate = true);
bool operator==(const row_handle &rhs) const { return m_category == rhs.m_category and m_row == rhs.m_row; }
bool operator!=(const row_handle &rhs) const { return m_category != rhs.m_category or m_row != rhs.m_row; }
private:
uint16_t get_column_ix(std::string_view name) const;
std::string_view get_column_name(uint16_t ix) const;
uint16_t add_column(std::string_view name);
row *get_row()
{
return m_row;
}
const row *get_row() const
{
return m_row;
}
void assign(const item &i, bool updateLinked)
{
assign(i.name(), i.value(), updateLinked);
}
void swap(uint16_t column, row_handle &r);
category *m_category = nullptr;
row *m_row = nullptr;
};
// --------------------------------------------------------------------
class row_initializer : public std::vector<item>
{
public:
friend class category;
row_initializer() = default;
row_initializer(const row_initializer &) = default;
row_initializer(row_initializer &&) = default;
row_initializer &operator=(const row_initializer &) = default;
row_initializer &operator=(row_initializer &&) = default;
row_initializer(std::initializer_list<item> items)
: std::vector<item>(items)
{
}
template <typename ItemIter, std::enable_if_t<std::is_same_v<typename ItemIter::value_type, item>, int> = 0>
row_initializer(ItemIter b, ItemIter e)
: std::vector<item>(b, e)
{
}
row_initializer(row_handle rh);
void set_value(std::string_view name, std::string_view value);
void set_value(const item &i)
{
set_value(i.name(), i.value());
}
void set_value_if_empty(std::string_view name, std::string_view value);
void set_value_if_empty(const item &i)
{
set_value_if_empty(i.name(), i.value());
}
};
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <array>
#include <cstdint>
#include <string>
namespace cif
{
// --------------------------------------------------------------------
enum class space_group_name
{
full,
xHM,
Hall
};
struct space_group
{
const char *name;
const char *xHM;
const char *Hall;
int nr;
};
extern const space_group kSpaceGroups[];
extern const std::size_t kNrOfSpaceGroups;
// --------------------------------------------------------------------
struct symop_data
{
constexpr symop_data(const std::array<int, 15> &data)
: m_packed((data[0] & 0x03ULL) << 34 bitor
(data[1] & 0x03ULL) << 32 bitor
(data[2] & 0x03ULL) << 30 bitor
(data[3] & 0x03ULL) << 28 bitor
(data[4] & 0x03ULL) << 26 bitor
(data[5] & 0x03ULL) << 24 bitor
(data[6] & 0x03ULL) << 22 bitor
(data[7] & 0x03ULL) << 20 bitor
(data[8] & 0x03ULL) << 18 bitor
(data[9] & 0x07ULL) << 15 bitor
(data[10] & 0x07ULL) << 12 bitor
(data[11] & 0x07ULL) << 9 bitor
(data[12] & 0x07ULL) << 6 bitor
(data[13] & 0x07ULL) << 3 bitor
(data[14] & 0x07ULL) << 0)
{
}
bool operator==(const symop_data &rhs) const
{
return m_packed == rhs.m_packed;
}
bool operator<(const symop_data &rhs) const
{
return m_packed < rhs.m_packed;
}
std::array<int, 15> data() const
{
return {
static_cast<int>(m_packed >> 34) bitand 0x03,
static_cast<int>(m_packed >> 32) bitand 0x03,
static_cast<int>(m_packed >> 30) bitand 0x03,
static_cast<int>(m_packed >> 28) bitand 0x03,
static_cast<int>(m_packed >> 26) bitand 0x03,
static_cast<int>(m_packed >> 24) bitand 0x03,
static_cast<int>(m_packed >> 22) bitand 0x03,
static_cast<int>(m_packed >> 20) bitand 0x03,
static_cast<int>(m_packed >> 18) bitand 0x03,
static_cast<int>(m_packed >> 15) bitand 0x07,
static_cast<int>(m_packed >> 12) bitand 0x07,
static_cast<int>(m_packed >> 9) bitand 0x07,
static_cast<int>(m_packed >> 6) bitand 0x07,
static_cast<int>(m_packed >> 3) bitand 0x07,
static_cast<int>(m_packed >> 0) bitand 0x07,
};
}
private:
friend struct symop_datablock;
const uint64_t kPackMask = (~0ULL >> (64 - 36));
symop_data(uint64_t v)
: m_packed(v bitand kPackMask)
{
}
uint64_t m_packed;
};
struct symop_datablock
{
constexpr symop_datablock(int spacegroup, int rotational_number, const std::array<int, 15> &rt_data)
: m_v((spacegroup & 0xffffULL) << 48 bitor
(rotational_number & 0xffULL) << 40 bitor
symop_data(rt_data).m_packed)
{
}
uint16_t spacegroup() const { return m_v >> 48; }
symop_data symop() const { return symop_data(m_v); }
uint8_t rotational_number() const { return (m_v >> 40) bitand 0xff; }
private:
uint64_t m_v;
};
static_assert(sizeof(symop_datablock) == sizeof(uint64_t), "Size of symop_data is wrong");
extern const symop_datablock kSymopNrTable[];
extern const std::size_t kSymopNrTableSize;
// --------------------------------------------------------------------
int get_space_group_number(std::string spacegroup); // alternative for clipper's parsing code, using space_group_name::full
int get_space_group_number(std::string spacegroup, space_group_name type); // alternative for clipper's parsing code
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <charconv>
#include <cmath>
#include <limits>
#include <set>
#include <sstream>
#include <tuple>
#include <vector>
#if __has_include(<experimental/type_traits>)
#include <experimental/type_traits>
#else
#include <type_traits>
#endif
#if (not defined(__cpp_lib_experimental_detect) or (__cpp_lib_experimental_detect < 201505)) and (not defined(_LIBCPP_VERSION) or _LIBCPP_VERSION < 5000)
// This code is copied from:
// https://ld2015.scusa.lsu.edu/cppreference/en/cpp/experimental/is_detected.html
namespace std
{
template< class... >
using void_t = void;
namespace experimental
{
namespace detail
{
template <class Default, class AlwaysVoid,
template<class...> class Op, class... Args>
struct detector
{
using value_t = false_type;
using type = Default;
};
template <class Default, template<class...> class Op, class... Args>
struct detector<Default, void_t<Op<Args...>>, Op, Args...> {
// Note that std::void_t is a c++17 feature
using value_t = true_type;
using type = Op<Args...>;
};
} // namespace detail
struct nonesuch
{
nonesuch() = delete;
~nonesuch() = delete;
nonesuch(nonesuch const&) = delete;
void operator=(nonesuch const&) = delete;
};
template <template<class...> class Op, class... Args>
using is_detected = typename detail::detector<nonesuch, void, Op, Args...>::value_t;
template <template<class...> class Op, class... Args>
constexpr inline bool is_detected_v = is_detected<Op,Args...>::value;
template <template<class...> class Op, class... Args>
using detected_t = typename detail::detector<nonesuch, void, Op, Args...>::type;
template <class Default, template<class...> class Op, class... Args>
using detected_or = detail::detector<Default, void, Op, Args...>;
template <class Expected, template <class...> class Op, class... Args>
using is_detected_exact = std::is_same<Expected, detected_t<Op, Args...>>;
template <class Expected, template<class...> class Op, class... Args>
constexpr inline bool is_detected_exact_v = is_detected_exact<Expected, Op, Args...>::value;
}
}
#endif
namespace cif
{
// --------------------------------------------------------------------
// some basic utilities: Since we're using ASCII input only, we define for optimisation
// our own case conversion routines.
bool iequals(std::string_view a, std::string_view b);
int icompare(std::string_view a, std::string_view b);
bool iequals(const char *a, const char *b);
int icompare(const char *a, const char *b);
void to_lower(std::string &s);
std::string to_lower_copy(std::string_view s);
void to_upper(std::string &s);
// std::string toUpperCopy(const std::string &s);
template <typename IterType>
std::string join(IterType b, IterType e, std::string_view sep)
{
std::ostringstream s;
if (b != e)
{
auto ai = b;
auto ni = std::next(ai);
for (;;)
{
s << *ai;
if (ni == e)
break;
ai = ni;
ni = std::next(ai);
s << sep;
}
}
return s.str();
}
template <typename V>
std::string join(const V &arr, std::string_view sep)
{
return join(arr.begin(), arr.end(), sep);
}
template <typename StringType = std::string_view>
std::vector<StringType> split(std::string_view s, std::string_view separators, bool suppress_empty = false)
{
std::vector<StringType> result;
auto b = s.data();
auto e = b;
while (e != s.data() + s.length())
{
if (separators.find(*e) != std::string_view::npos)
{
if (e > b or not suppress_empty)
result.emplace_back(b, e - b);
b = e = e + 1;
continue;
}
++e;
}
if (e > b or not suppress_empty)
result.emplace_back(b, e - b);
return result;
}
void replace_all(std::string &s, std::string_view what, std::string_view with = {});
#if defined(__cpp_lib_starts_ends_with)
inline bool starts_with(std::string s, std::string_view with)
{
return s.starts_with(with);
}
inline bool ends_with(std::string_view s, std::string_view with)
{
return s.ends_with(with);
}
#else
inline bool starts_with(std::string s, std::string_view with)
{
return s.compare(0, with.length(), with) == 0;
}
inline bool ends_with(std::string_view s, std::string_view with)
{
return s.length() >= with.length() and s.compare(s.length() - with.length(), with.length(), with) == 0;
}
#endif
#if defined(__cpp_lib_string_contains)
inline bool contains(std::string_view s, std::string_view q)
{
return s.contains(q);
}
#else
inline bool contains(std::string_view s, std::string_view q)
{
return s.find(q) != std::string_view::npos;
}
#endif
bool icontains(std::string_view s, std::string_view q);
void trim_left(std::string &s);
void trim_right(std::string &s);
void trim(std::string &s);
std::string trim_left_copy(std::string_view s);
std::string trim_right_copy(std::string_view s);
std::string trim_copy(std::string_view s);
// To make life easier, we also define iless and iset using iequals
struct iless
{
bool operator()(const std::string &a, const std::string &b) const
{
return icompare(a, b) < 0;
}
};
typedef std::set<std::string, iless> iset;
// --------------------------------------------------------------------
// This really makes a difference, having our own tolower routines
extern const uint8_t kCharToLowerMap[256];
inline char tolower(int ch)
{
return static_cast<char>(kCharToLowerMap[static_cast<uint8_t>(ch)]);
}
// --------------------------------------------------------------------
std::tuple<std::string, std::string> split_tag_name(std::string_view tag);
// --------------------------------------------------------------------
// generate a cif name, mainly used to generate asym_id's
std::string cif_id_for_number(int number);
// --------------------------------------------------------------------
// custom wordwrapping routine
std::vector<std::string> word_wrap(const std::string &text, size_t width);
// --------------------------------------------------------------------
/// std::from_chars for floating point types.
/// These are optional, there's a selected_charconv class below that selects
/// the best option to used based on support by the stl library
/// I.e. that in case of GNU < 12 (or something) the cif implementation will
/// be used, all other cases will use the stl version.
template <typename FloatType, std::enable_if_t<std::is_floating_point_v<FloatType>, int> = 0>
std::from_chars_result from_chars(const char *first, const char *last, FloatType &value)
{
std::from_chars_result result{ first, {} };
enum State
{
IntegerSign,
Integer,
Fraction,
ExponentSign,
Exponent
} state = IntegerSign;
int sign = 1;
unsigned long long vi = 0;
long double f = 1;
int exponent_sign = 1;
int exponent = 0;
bool done = false;
while (not done and result.ec == std::errc())
{
char ch = result.ptr != last ? *result.ptr : 0;
++result.ptr;
switch (state)
{
case IntegerSign:
if (ch == '-')
{
sign = -1;
state = Integer;
}
else if (ch == '+')
state = Integer;
else if (ch >= '0' and ch <= '9')
{
vi = ch - '0';
state = Integer;
}
else if (ch == '.')
state = Fraction;
else
result.ec = std::errc::invalid_argument;
break;
case Integer:
if (ch >= '0' and ch <= '9')
vi = 10 * vi + (ch - '0');
else if (ch == 'e' or ch == 'E')
state = ExponentSign;
else if (ch == '.')
state = Fraction;
else
{
done = true;
--result.ptr;
}
break;
case Fraction:
if (ch >= '0' and ch <= '9')
{
vi = 10 * vi + (ch - '0');
f /= 10;
}
else if (ch == 'e' or ch == 'E')
state = ExponentSign;
else
{
done = true;
--result.ptr;
}
break;
case ExponentSign:
if (ch == '-')
{
exponent_sign = -1;
state = Exponent;
}
else if (ch == '+')
state = Exponent;
else if (ch >= '0' and ch <= '9')
{
exponent = ch - '0';
state = Exponent;
}
else
result.ec = std::errc::invalid_argument;
break;
case Exponent:
if (ch >= '0' and ch <= '9')
exponent = 10 * exponent + (ch - '0');
else
{
done = true;
--result.ptr;
}
break;
}
}
if (result.ec == std::errc())
{
long double v = f * vi * sign;
if (exponent != 0)
v *= std::pow(10, exponent * exponent_sign);
if (std::isnan(v))
result.ec = std::errc::invalid_argument;
else if (std::abs(v) > std::numeric_limits<FloatType>::max())
result.ec = std::errc::result_out_of_range;
value = static_cast<FloatType>(v);
}
return result;
}
enum class chars_format
{
scientific = 1,
fixed = 2,
// hex,
general = fixed | scientific
};
template <typename FloatType, std::enable_if_t<std::is_floating_point_v<FloatType>, int> = 0>
std::to_chars_result to_chars(char *first, char *last, FloatType &value, chars_format fmt)
{
int size = static_cast<int>(last - first);
int r = 0;
switch (fmt)
{
case chars_format::scientific:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%le", value);
else
r = snprintf(first, last - first, "%e", value);
break;
case chars_format::fixed:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%lf", value);
else
r = snprintf(first, last - first, "%f", value);
break;
case chars_format::general:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%lg", value);
else
r = snprintf(first, last - first, "%g", value);
break;
}
std::to_chars_result result;
if (r < 0 or r >= size)
result = { first, std::errc::value_too_large };
else
result = { first + r, std::errc() };
return result;
}
template <typename FloatType, std::enable_if_t<std::is_floating_point_v<FloatType>, int> = 0>
std::to_chars_result to_chars(char *first, char *last, FloatType &value, chars_format fmt, int precision)
{
int size = last - first;
int r;
switch (fmt)
{
case chars_format::scientific:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%.*le", precision, value);
else
r = snprintf(first, last - first, "%.*e", precision, value);
break;
case chars_format::fixed:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%.*lf", precision, value);
else
r = snprintf(first, last - first, "%.*f", precision, value);
break;
case chars_format::general:
if constexpr (std::is_same_v<FloatType, long double>)
r = snprintf(first, last - first, "%.*lg", precision, value);
else
r = snprintf(first, last - first, "%.*g", precision, value);
break;
}
std::to_chars_result result;
if (r < 0 or r >= size)
result = { first, std::errc::value_too_large };
else
result = { first + r, std::errc() };
return result;
}
template <typename T>
struct my_charconv
{
static std::from_chars_result from_chars(const char *a, const char *b, T &d)
{
return cif::from_chars(a, b, d);
}
static std::to_chars_result to_chars(char *first, char *last, T &value, chars_format fmt)
{
return cif::to_chars(first, last, value, fmt);
}
};
template <typename T>
struct std_charconv
{
static std::from_chars_result from_chars(const char *a, const char *b, T &d)
{
return std::from_chars(a, b, d);
}
static std::to_chars_result to_chars(char *first, char *last, T &value, chars_format fmt)
{
return std::to_chars(first, last, value, fmt);
}
};
template <typename T>
using from_chars_function = decltype(std::from_chars(std::declval<const char *>(), std::declval<const char *>(), std::declval<T &>()));
template <typename T>
using selected_charconv = typename std::conditional_t<std::experimental::is_detected_v<from_chars_function, T>, std_charconv<T>, my_charconv<T>>;
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <filesystem>
#ifndef STDOUT_FILENO
#define STDOUT_FILENO 1
#endif
#if _MSC_VER
#include <io.h>
#define isatty _isatty
#else
#include <unistd.h>
#endif
#if _MSC_VER
#pragma warning(disable : 4996) // unsafe function or variable (strcpy e.g.)
#pragma warning(disable : 4068) // unknown pragma
#pragma warning(disable : 4100) // unreferenced formal parameter
#pragma warning(disable : 4101) // unreferenced local variable
#define _SILENCE_CXX17_CODECVT_HEADER_DEPRECATION_WARNING 1
#endif
namespace cif
{
extern int VERBOSE;
// the git 'build' number
std::string get_version_nr();
// std::string get_version_date();
// --------------------------------------------------------------------
// Code helping with terminal i/o
uint32_t get_terminal_width();
// --------------------------------------------------------------------
// Path of the current executable
std::string get_executable_path();
// --------------------------------------------------------------------
// some manipulators to write coloured text to terminals
enum StringColour
{
scBLACK = 0,
scRED,
scGREEN,
scYELLOW,
scBLUE,
scMAGENTA,
scCYAN,
scWHITE,
scNONE = 9
};
template <typename String, typename CharT>
struct ColouredString
{
static_assert(std::is_reference<String>::value or std::is_pointer<String>::value, "String type must be pointer or reference");
ColouredString(String s, StringColour fore, StringColour back, bool bold = true)
: m_s(s)
, m_fore(fore)
, m_back(back)
, m_bold(bold)
{
}
ColouredString &operator=(const ColouredString &) = delete;
String m_s;
StringColour m_fore, m_back;
bool m_bold;
};
template <typename CharT, typename Traits>
std::basic_ostream<CharT, Traits> &operator<<(std::basic_ostream<CharT, Traits> &os, const ColouredString<const CharT *, CharT> &s)
{
if (isatty(STDOUT_FILENO))
{
std::basic_ostringstream<CharT, Traits> ostr;
ostr << "\033[" << (30 + s.m_fore) << ';' << (s.m_bold ? "1" : "22") << ';' << (40 + s.m_back) << 'm'
<< s.m_s
<< "\033[0m";
return os << ostr.str();
}
else
return os << s.m_s;
}
template <typename CharT, typename Traits, typename String>
std::basic_ostream<CharT, Traits> &operator<<(std::basic_ostream<CharT, Traits> &os, const ColouredString<String, CharT> &s)
{
if (isatty(STDOUT_FILENO))
{
std::basic_ostringstream<CharT, Traits> ostr;
ostr << "\033[" << (30 + s.m_fore) << ';' << (s.m_bold ? "1" : "22") << ';' << (40 + s.m_back) << 'm'
<< s.m_s
<< "\033[0m";
return os << ostr.str();
}
else
return os << s.m_s;
}
template <typename CharT>
inline auto coloured(const CharT *s, StringColour fore = scWHITE, StringColour back = scRED, bool bold = true)
{
return ColouredString<const CharT *, CharT>(s, fore, back, bold);
}
template <typename CharT, typename Traits, typename Alloc>
inline auto coloured(const std::basic_string<CharT, Traits, Alloc> &s, StringColour fore = scWHITE, StringColour back = scRED, bool bold = true)
{
return ColouredString<const std::basic_string<CharT, Traits, Alloc>, CharT>(s, fore, back, bold);
}
template <typename CharT, typename Traits, typename Alloc>
inline auto coloured(std::basic_string<CharT, Traits, Alloc> &s, StringColour fore = scWHITE, StringColour back = scRED, bool bold = true)
{
return ColouredString<std::basic_string<CharT, Traits, Alloc>, CharT>(s, fore, back, bold);
}
// --------------------------------------------------------------------
// A progress bar
class Progress
{
public:
Progress(int64_t inMax, const std::string &inAction);
virtual ~Progress();
void consumed(int64_t inConsumed); // consumed is relative
void progress(int64_t inProgress); // progress is absolute
void message(const std::string &inMessage);
private:
Progress(const Progress &) = delete;
Progress &operator=(const Progress &) = delete;
struct ProgressImpl *m_impl;
};
// --------------------------------------------------------------------
// Resources
std::unique_ptr<std::istream> load_resource(std::filesystem::path name);
void add_file_resource(const std::string &name, std::filesystem::path dataFile);
void add_data_directory(std::filesystem::path dataDir);
} // namespace cif

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/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2022 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#pragma once
#include <filesystem>
#include <list>
#include <mutex>
#include <utility>
#include <cif++/text.hpp>
namespace cif
{
struct category_validator;
// --------------------------------------------------------------------
class validation_error : public std::exception
{
public:
validation_error(const std::string &msg);
validation_error(const std::string &cat, const std::string &item,
const std::string &msg);
const char *what() const noexcept { return m_msg.c_str(); }
std::string m_msg;
};
// --------------------------------------------------------------------
enum class DDL_PrimitiveType
{
Char,
UChar,
Numb
};
DDL_PrimitiveType map_to_primitive_type(std::string_view s);
struct regex_impl;
struct type_validator
{
std::string m_name;
DDL_PrimitiveType m_primitive_type;
regex_impl *m_rx;
type_validator() = delete;
type_validator(std::string_view name, DDL_PrimitiveType type, std::string_view rx);
type_validator(const type_validator &) = delete;
type_validator(type_validator &&rhs)
: m_name(std::move(rhs.m_name))
, m_primitive_type(rhs.m_primitive_type)
{
m_rx = std::exchange(rhs.m_rx, nullptr);
}
type_validator &operator=(const type_validator &) = delete;
type_validator &operator=(type_validator &&rhs)
{
m_name = std::move(rhs.m_name);
m_primitive_type = rhs.m_primitive_type;
m_rx = std::exchange(rhs.m_rx, nullptr);
return *this;
}
~type_validator();
bool operator<(const type_validator &rhs) const
{
return icompare(m_name, rhs.m_name) < 0;
}
int compare(std::string_view a, std::string_view b) const;
};
struct item_validator
{
std::string m_tag;
bool m_mandatory;
const type_validator *m_type;
cif::iset m_enums;
std::string m_default;
bool m_default_is_null;
category_validator *m_category = nullptr;
// ItemLinked is used for non-key links
struct item_link
{
item_validator *m_parent;
std::string m_parent_item;
std::string m_child_item;
};
std::vector<item_link> mLinked;
bool operator<(const item_validator &rhs) const
{
return icompare(m_tag, rhs.m_tag) < 0;
}
bool operator==(const item_validator &rhs) const
{
return iequals(m_tag, rhs.m_tag);
}
void operator()(std::string_view value) const;
};
struct category_validator
{
std::string m_name;
std::vector<std::string> m_keys;
cif::iset m_groups;
cif::iset m_mandatory_fields;
std::set<item_validator> m_item_validators;
bool operator<(const category_validator &rhs) const
{
return icompare(m_name, rhs.m_name) < 0;
}
void addItemValidator(item_validator &&v);
const item_validator *get_validator_for_item(std::string_view tag) const;
const std::set<item_validator> &item_validators() const
{
return m_item_validators;
}
};
struct link_validator
{
int m_link_group_id;
std::string m_parent_category;
std::vector<std::string> m_parent_keys;
std::string m_child_category;
std::vector<std::string> m_child_keys;
std::string m_link_group_label;
};
// --------------------------------------------------------------------
class validator
{
public:
validator(std::string_view name)
: m_name(name)
{
}
~validator() = default;
validator(const validator &rhs) = delete;
validator &operator=(const validator &rhs) = delete;
validator(validator &&rhs) = default;
validator &operator=(validator &&rhs) = default;
friend class dictionary_parser;
void add_type_validator(type_validator &&v);
const type_validator *get_validator_for_type(std::string_view type_code) const;
void add_category_validator(category_validator &&v);
const category_validator *get_validator_for_category(std::string_view category) const;
void add_link_validator(link_validator &&v);
std::vector<const link_validator *> get_links_for_parent(std::string_view category) const;
std::vector<const link_validator *> get_links_for_child(std::string_view category) const;
void report_error(const std::string &msg, bool fatal) const;
const std::string &name() const { return m_name; }
void set_name(const std::string &name) { m_name = name; }
const std::string &version() const { return m_version; }
void version(const std::string &version) { m_version = version; }
private:
// name is fully qualified here:
item_validator *get_validator_for_item(std::string_view name) const;
std::string m_name;
std::string m_version;
bool m_strict = false;
std::set<type_validator> m_type_validators;
std::set<category_validator> m_category_validators;
std::vector<link_validator> m_link_validators;
};
// --------------------------------------------------------------------
class validator_factory
{
public:
static validator_factory &instance()
{
static validator_factory s_instance;
return s_instance;
}
const validator &operator[](std::string_view dictionary_name);
private:
void construct_validator(std::string_view name, std::istream &is);
// --------------------------------------------------------------------
validator_factory() = default;
std::mutex m_mutex;
std::list<validator> m_validators;
};
} // namespace cif

13
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prefix=@prefix@
exec_prefix=@exec_prefix@
libdir=@libdir@
includedir=@includedir@
datalibdir=@datarootdir@/libcifpp
Name: libcifpp
Description: C++ library for the manipulation of mmCIF files.
Version: @PACKAGE_VERSION@
Requires.private: zlib, liblzma
Libs: -L${libdir} -lcifpp
Cflags: -I${includedir} -pthread

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# Copyright 2018 Mike Dev
# Copyright 2019 Peter Dimov
# Distributed under the Boost Software License, Version 1.0.
# See accompanying file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt
# We support CMake 3.5, but prefer 3.16 policies and behavior
cmake_minimum_required(VERSION 3.5...3.16)
project(boost_regex VERSION "${BOOST_SUPERPROJECT_VERSION}" LANGUAGES CXX)
add_library(boost_regex INTERFACE)
add_library(Boost::regex ALIAS boost_regex)
target_include_directories(boost_regex INTERFACE include)
option(BOOST_REGEX_STANDALONE "Boost.Regex: Enable Standalone Mode (i.e. no Boost dependencies)")
if(NOT BOOST_REGEX_STANDALONE)
target_link_libraries(boost_regex
INTERFACE
Boost::config
Boost::throw_exception
Boost::predef
Boost::assert
)
else()
target_compile_definitions(boost_regex
INTERFACE BOOST_REGEX_STANDALONE
)
endif()
find_package(ICU COMPONENTS data i18n uc QUIET)
#option(BOOST_REGEX_ENABLE_ICU "Boost.Regex: enable ICU support" ${ICU_FOUND})
if(ICU_FOUND)
add_library(boost_regex_icu INTERFACE)
add_library(Boost::regex_icu ALIAS boost_regex_icu)
target_include_directories(boost_regex_icu INTERFACE include)
if(NOT BOOST_REGEX_STANDALONE)
target_link_libraries(boost_regex_icu
INTERFACE
Boost::config
Boost::throw_exception
Boost::predef
Boost::assert
)
else()
target_compile_definitions(boost_regex_icu
INTERFACE BOOST_REGEX_STANDALONE
)
endif()
find_package(ICU COMPONENTS data i18n uc REQUIRED)
target_link_libraries(boost_regex_icu INTERFACE ICU::data ICU::i18n ICU::uc)
endif()

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Boost Software License - Version 1.0 - August 17th, 2003
Permission is hereby granted, free of charge, to any person or organization
obtaining a copy of the software and accompanying documentation covered by
this license (the "Software") to use, reproduce, display, distribute,
execute, and transmit the Software, and to prepare derivative works of the
Software, and to permit third-parties to whom the Software is furnished to
do so, all subject to the following:
The copyright notices in the Software and this entire statement, including
the above license grant, this restriction and the following disclaimer,
must be included in all copies of the Software, in whole or in part, and
all derivative works of the Software, unless such copies or derivative
works are solely in the form of machine-executable object code generated by
a source language processor.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT
SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
DEALINGS IN THE SOFTWARE.

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Boost Regex Library
============================
The Boost Regex library provides regular expression support for C++, this library is the ancestor to std::regex and still goes beyond
and offers some advantages to, the standard version.
The full documentation is available on [boost.org](http://www.boost.org/doc/libs/release/libs/regex/index.html).
## Standalone Mode ##
This library may now be used in "standalone" mode without the rest of the Boost C++ libraries, in order to do this you must either:
* Have a C++17 compiler that supports __has_include, in this case if <boost/config.hpp> is not present then the library will automoatically enter standalone mode. Or:
* Define BOOST_REGEX_STANDALONE when building.
The main difference between the 2 modes, is that when Boost.Config is present the library will automatically configure itself around various compiler defects. In particular in order to use the library with exception support turned off, you will either need a copy of Boost.Config in your include path, or else manually define BOOST_NO_EXCEPTIONS when building.
In any event, to obtain a standalone version of this library, simply download a .zip of the "master" branch of this repository.
## Support, bugs and feature requests ##
Bugs and feature requests can be reported through the [Gitub issue tracker](https://github.com/boostorg/regex/issues)
(see [open issues](https://github.com/boostorg/regex/issues) and
[closed issues](https://github.com/boostorg/regex/issues?utf8=%E2%9C%93&q=is%3Aissue+is%3Aclosed)).
You can submit your changes through a [pull request](https://github.com/boostorg/regex/pulls).
There is no mailing-list specific to Boost Regex, although you can use the general-purpose Boost [mailing-list](http://lists.boost.org/mailman/listinfo.cgi/boost-users) using the tag [regex].
## Development ##
Clone the whole boost project, which includes the individual Boost projects as submodules ([see boost+git doc](https://github.com/boostorg/boost/wiki/Getting-Started)):
git clone https://github.com/boostorg/boost
cd boost
git submodule update --init
The Boost Regex Library is located in `libs/regex/`.
### Running tests ###
First, make sure you are in `libs/regex/test`.
You can either run all the tests listed in `Jamfile.v2` or run a single test:
../../../b2 <- run all tests
../../../b2 regex_regress <- single test

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org/libs/regex for most recent version.
* FILE cregex.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares POSIX API functions
* + boost::RegEx high level wrapper.
*/
#ifndef BOOST_RE_CREGEX_HPP
#define BOOST_RE_CREGEX_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#ifdef BOOST_REGEX_CXX03
#include <boost/regex/v4/cregex.hpp>
#else
#include <boost/regex/v5/cregex.hpp>
#endif
#endif /* include guard */

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/*
*
* Copyright (c) 1998-2000
* Dr John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org/libs/regex for documentation.
* FILE regex.h
* VERSION 3.12
* DESCRIPTION: Declares POSIX API functions
*/
#ifndef BOOST_RE_REGEX_H
#define BOOST_RE_REGEX_H
#include <boost/cregex.hpp>
/*
* add using declarations to bring POSIX API functions into
* global scope, only if this is C++ (and not C).
*/
#ifdef __cplusplus
using boost::regoff_t;
using boost::regex_tA;
using boost::regmatch_t;
using boost::REG_BASIC;
using boost::REG_EXTENDED;
using boost::REG_ICASE;
using boost::REG_NOSUB;
using boost::REG_NEWLINE;
using boost::REG_NOSPEC;
using boost::REG_PEND;
using boost::REG_DUMP;
using boost::REG_NOCOLLATE;
using boost::REG_ESCAPE_IN_LISTS;
using boost::REG_NEWLINE_ALT;
using boost::REG_PERL;
using boost::REG_AWK;
using boost::REG_GREP;
using boost::REG_EGREP;
using boost::REG_ASSERT;
using boost::REG_INVARG;
using boost::REG_ATOI;
using boost::REG_ITOA;
using boost::REG_NOTBOL;
using boost::REG_NOTEOL;
using boost::REG_STARTEND;
using boost::reg_comp_flags;
using boost::reg_exec_flags;
using boost::regcompA;
using boost::regerrorA;
using boost::regexecA;
using boost::regfreeA;
#ifndef BOOST_NO_WREGEX
using boost::regcompW;
using boost::regerrorW;
using boost::regexecW;
using boost::regfreeW;
using boost::regex_tW;
#endif
using boost::REG_NOERROR;
using boost::REG_NOMATCH;
using boost::REG_BADPAT;
using boost::REG_ECOLLATE;
using boost::REG_ECTYPE;
using boost::REG_EESCAPE;
using boost::REG_ESUBREG;
using boost::REG_EBRACK;
using boost::REG_EPAREN;
using boost::REG_EBRACE;
using boost::REG_BADBR;
using boost::REG_ERANGE;
using boost::REG_ESPACE;
using boost::REG_BADRPT;
using boost::REG_EEND;
using boost::REG_ESIZE;
using boost::REG_ERPAREN;
using boost::REG_EMPTY;
using boost::REG_E_MEMORY;
using boost::REG_E_UNKNOWN;
using boost::reg_errcode_t;
#endif /* __cplusplus */
#endif /* BOOST_RE_REGEX_H */

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org/libs/regex for documentation.
* FILE regex.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares boost::basic_regex<> and associated
* functions and classes. This header is the main
* entry point for the template regex code.
*/
/* start with C compatibility API */
#ifndef BOOST_RE_REGEX_HPP
#define BOOST_RE_REGEX_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#ifdef BOOST_REGEX_CXX03
#include <boost/regex/v4/regex.hpp>
#else
#include <boost/regex/v5/regex.hpp>
#endif
#endif // include

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE config.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: regex extended config setup.
*/
#ifndef BOOST_REGEX_CONFIG_HPP
#define BOOST_REGEX_CONFIG_HPP
#if !((__cplusplus >= 201103L) || (defined(_MSC_VER) && (_MSC_VER >= 1600)) || defined(BOOST_REGEX_CXX03))
# define BOOST_REGEX_CXX03
#endif
#if defined(BOOST_REGEX_RECURSIVE) && !defined(BOOST_REGEX_CXX03)
# define BOOST_REGEX_CXX03
#endif
#if defined(__has_include)
#if !defined(BOOST_REGEX_STANDALONE) && !__has_include(<boost/version.hpp>)
#define BOOST_REGEX_STANDALONE
#endif
#endif
/*
* Borland C++ Fix/error check
* this has to go *before* we include any std lib headers:
*/
#if defined(__BORLANDC__) && !defined(__clang__)
# include <boost/regex/config/borland.hpp>
#endif
#ifndef BOOST_REGEX_STANDALONE
#include <boost/version.hpp>
#endif
/*************************************************************************
*
* Asserts:
*
*************************************************************************/
#ifdef BOOST_REGEX_STANDALONE
#include <cassert>
# define BOOST_REGEX_ASSERT(x) assert(x)
#else
#include <boost/assert.hpp>
# define BOOST_REGEX_ASSERT(x) BOOST_ASSERT(x)
#endif
/*****************************************************************************
*
* Include all the headers we need here:
*
****************************************************************************/
#ifdef __cplusplus
# ifndef BOOST_REGEX_USER_CONFIG
# define BOOST_REGEX_USER_CONFIG <boost/regex/user.hpp>
# endif
# include BOOST_REGEX_USER_CONFIG
#ifndef BOOST_REGEX_STANDALONE
# include <boost/config.hpp>
# include <boost/predef.h>
#endif
#else
/*
* C build,
* don't include <boost/config.hpp> because that may
* do C++ specific things in future...
*/
# include <stdlib.h>
# include <stddef.h>
# ifdef _MSC_VER
# define BOOST_MSVC _MSC_VER
# endif
#endif
/****************************************************************************
*
* Legacy support:
*
*******************************************************************************/
#if defined(BOOST_NO_STD_LOCALE) || defined(BOOST_NO_CXX11_HDR_MUTEX) || defined(BOOST_NO_CXX11_HDR_TYPE_TRAITS) \
|| defined(BOOST_NO_CXX11_HDR_ATOMIC) || defined(BOOST_NO_CXX11_ALLOCATOR) || defined(BOOST_NO_CXX11_SMART_PTR) \
|| defined(BOOST_NO_CXX11_STATIC_ASSERT) || defined(BOOST_NO_NOEXCEPT)
#ifndef BOOST_REGEX_CXX03
# define BOOST_REGEX_CXX03
#endif
#endif
/*****************************************************************************
*
* Boilerplate regex config options:
*
****************************************************************************/
/* Obsolete macro, use BOOST_VERSION instead: */
#define BOOST_RE_VERSION 500
/* fix: */
#if defined(_UNICODE) && !defined(UNICODE)
#define UNICODE
#endif
#define BOOST_REGEX_JOIN(X, Y) BOOST_REGEX_DO_JOIN(X, Y)
#define BOOST_REGEX_DO_JOIN(X, Y) BOOST_REGEX_DO_JOIN2(X,Y)
#define BOOST_REGEX_DO_JOIN2(X, Y) X##Y
#ifdef BOOST_FALLTHROUGH
# define BOOST_REGEX_FALLTHROUGH BOOST_FALLTHROUGH
#else
#if defined(__clang__) && (__cplusplus >= 201103L) && defined(__has_warning)
# if __has_feature(cxx_attributes) && __has_warning("-Wimplicit-fallthrough")
# define BOOST_REGEX_FALLTHROUGH [[clang::fallthrough]]
# endif
#endif
#if !defined(BOOST_REGEX_FALLTHROUGH) && defined(__INTEL_COMPILER) && (__INTEL_COMPILER >= 1800) && (__cplusplus >= 201703)
# define BOOST_REGEX_FALLTHROUGH [[fallthrough]]
#endif
#if !defined(BOOST_REGEX_FALLTHROUGH) && defined(__GNUC__) && (__GNUC__ >= 7)
# define BOOST_REGEX_FALLTHROUGH __attribute__((fallthrough))
#endif
#if !defined(BOOST_REGEX_FALLTHROUGH)
# define BOOST_REGEX_FALLTHROUGH
#endif
#endif
#ifdef BOOST_NORETURN
# define BOOST_REGEX_NORETURN BOOST_NORETURN
#else
# define BOOST_REGEX_NORETURN
#endif
/*
* Define a macro for the namespace that details are placed in, this includes the Boost
* version number to avoid mismatched header and library versions:
*/
#define BOOST_REGEX_DETAIL_NS BOOST_REGEX_JOIN(re_detail_, BOOST_RE_VERSION)
/*
* Fix for gcc prior to 3.4: std::ctype<wchar_t> doesn't allow
* masks to be combined, for example:
* std::use_facet<std::ctype<wchar_t> >.is(std::ctype_base::lower|std::ctype_base::upper, L'a');
* returns *false*.
*/
#if defined(__GLIBCPP__) && defined(BOOST_REGEX_CXX03)
# define BOOST_REGEX_BUGGY_CTYPE_FACET
#endif
/*
* If there isn't good enough wide character support then there will
* be no wide character regular expressions:
*/
#if (defined(BOOST_NO_CWCHAR) || defined(BOOST_NO_CWCTYPE) || defined(BOOST_NO_STD_WSTRING))
# if !defined(BOOST_NO_WREGEX)
# define BOOST_NO_WREGEX
# endif
#else
# if defined(__sgi) && (defined(__SGI_STL_PORT) || defined(_STLPORT_VERSION))
/* STLPort on IRIX is misconfigured: <cwctype> does not compile
* as a temporary fix include <wctype.h> instead and prevent inclusion
* of STLPort version of <cwctype> */
# include <wctype.h>
# define __STLPORT_CWCTYPE
# define _STLP_CWCTYPE
# endif
#if defined(__cplusplus) && defined(BOOST_REGEX_CXX03)
# include <boost/regex/config/cwchar.hpp>
#endif
#endif
/*
* If Win32 support has been disabled for boost in general, then
* it is for regex in particular:
*/
#if defined(BOOST_DISABLE_WIN32) && !defined(BOOST_REGEX_NO_W32)
# define BOOST_REGEX_NO_W32
#endif
/* disable our own file-iterators and mapfiles if we can't
* support them: */
#if defined(_WIN32)
# if defined(BOOST_REGEX_NO_W32) || BOOST_PLAT_WINDOWS_RUNTIME
# define BOOST_REGEX_NO_FILEITER
# endif
#else /* defined(_WIN32) */
# if !defined(BOOST_HAS_DIRENT_H)
# define BOOST_REGEX_NO_FILEITER
# endif
#endif
/* backwards compatibitity: */
#if defined(BOOST_RE_NO_LIB)
# define BOOST_REGEX_NO_LIB
#endif
#if defined(__GNUC__) && !defined(_MSC_VER) && (defined(_WIN32) || defined(__CYGWIN__))
/* gcc on win32 has problems if you include <windows.h>
(sporadically generates bad code). */
# define BOOST_REGEX_NO_W32
#endif
#if defined(__COMO__) && !defined(BOOST_REGEX_NO_W32) && !defined(_MSC_EXTENSIONS)
# define BOOST_REGEX_NO_W32
#endif
#ifdef BOOST_REGEX_STANDALONE
# if defined(_MSC_VER) && !defined(__clang__) && !defined(__GNUC__)
# define BOOST_REGEX_MSVC _MSC_VER
#endif
#elif defined(BOOST_MSVC)
# define BOOST_REGEX_MSVC BOOST_MSVC
#endif
/*****************************************************************************
*
* Set up dll import/export options:
*
****************************************************************************/
#if (defined(BOOST_REGEX_DYN_LINK) || defined(BOOST_ALL_DYN_LINK)) && !defined(BOOST_REGEX_STATIC_LINK) && defined(BOOST_SYMBOL_IMPORT)
# if defined(BOOST_REGEX_SOURCE)
# define BOOST_REGEX_BUILD_DLL
# define BOOST_REGEX_DECL BOOST_SYMBOL_EXPORT
# else
# define BOOST_REGEX_DECL BOOST_SYMBOL_IMPORT
# endif
#else
# define BOOST_REGEX_DECL
#endif
#ifdef BOOST_REGEX_CXX03
#if !defined(BOOST_REGEX_NO_LIB) && !defined(BOOST_REGEX_SOURCE) && !defined(BOOST_ALL_NO_LIB) && defined(__cplusplus)
# define BOOST_LIB_NAME boost_regex
# if defined(BOOST_REGEX_DYN_LINK) || defined(BOOST_ALL_DYN_LINK)
# define BOOST_DYN_LINK
# endif
# ifdef BOOST_REGEX_DIAG
# define BOOST_LIB_DIAGNOSTIC
# endif
# include <boost/config/auto_link.hpp>
#endif
#endif
/*****************************************************************************
*
* Set up function call type:
*
****************************************************************************/
#if defined(_MSC_VER) && defined(_MSC_EXTENSIONS)
#if defined(_DEBUG) || defined(__MSVC_RUNTIME_CHECKS) || defined(_MANAGED) || defined(BOOST_REGEX_NO_FASTCALL)
# define BOOST_REGEX_CALL __cdecl
#else
# define BOOST_REGEX_CALL __fastcall
#endif
# define BOOST_REGEX_CCALL __cdecl
#endif
#if defined(__BORLANDC__) && !defined(BOOST_DISABLE_WIN32)
#if defined(__clang__)
# define BOOST_REGEX_CALL __cdecl
# define BOOST_REGEX_CCALL __cdecl
#else
# define BOOST_REGEX_CALL __fastcall
# define BOOST_REGEX_CCALL __stdcall
#endif
#endif
#ifndef BOOST_REGEX_CALL
# define BOOST_REGEX_CALL
#endif
#ifndef BOOST_REGEX_CCALL
#define BOOST_REGEX_CCALL
#endif
/*****************************************************************************
*
* Set up localisation model:
*
****************************************************************************/
/* backwards compatibility: */
#ifdef BOOST_RE_LOCALE_C
# define BOOST_REGEX_USE_C_LOCALE
#endif
#ifdef BOOST_RE_LOCALE_CPP
# define BOOST_REGEX_USE_CPP_LOCALE
#endif
#if defined(__CYGWIN__)
# define BOOST_REGEX_USE_C_LOCALE
#endif
/* use C++ locale when targeting windows store */
#if BOOST_PLAT_WINDOWS_RUNTIME
# define BOOST_REGEX_USE_CPP_LOCALE
# define BOOST_REGEX_NO_WIN32_LOCALE
#endif
/* Win32 defaults to native Win32 locale: */
#if defined(_WIN32) && \
!defined(BOOST_REGEX_USE_WIN32_LOCALE) && \
!defined(BOOST_REGEX_USE_C_LOCALE) && \
!defined(BOOST_REGEX_USE_CPP_LOCALE) && \
!defined(BOOST_REGEX_NO_W32) && \
!defined(BOOST_REGEX_NO_WIN32_LOCALE)
# define BOOST_REGEX_USE_WIN32_LOCALE
#endif
/* otherwise use C++ locale if supported: */
#if !defined(BOOST_REGEX_USE_WIN32_LOCALE) && !defined(BOOST_REGEX_USE_C_LOCALE) && !defined(BOOST_REGEX_USE_CPP_LOCALE) && !defined(BOOST_NO_STD_LOCALE)
# define BOOST_REGEX_USE_CPP_LOCALE
#endif
/* otherwise use C locale: */
#if !defined(BOOST_REGEX_USE_WIN32_LOCALE) && !defined(BOOST_REGEX_USE_C_LOCALE) && !defined(BOOST_REGEX_USE_CPP_LOCALE)
# define BOOST_REGEX_USE_C_LOCALE
#endif
#ifndef BOOST_REGEX_MAX_STATE_COUNT
# define BOOST_REGEX_MAX_STATE_COUNT 100000000
#endif
/*****************************************************************************
*
* Error Handling for exception free compilers:
*
****************************************************************************/
#ifdef BOOST_NO_EXCEPTIONS
/*
* If there are no exceptions then we must report critical-errors
* the only way we know how; by terminating.
*/
#include <stdexcept>
#include <string>
#include <boost/throw_exception.hpp>
# define BOOST_REGEX_NOEH_ASSERT(x)\
if(0 == (x))\
{\
std::string s("Error: critical regex++ failure in: ");\
s.append(#x);\
std::runtime_error e(s);\
boost::throw_exception(e);\
}
#else
/*
* With exceptions then error handling is taken care of and
* there is no need for these checks:
*/
# define BOOST_REGEX_NOEH_ASSERT(x)
#endif
/*****************************************************************************
*
* Stack protection under MS Windows:
*
****************************************************************************/
#if !defined(BOOST_REGEX_NO_W32) && !defined(BOOST_REGEX_V3)
# if(defined(_WIN32) || defined(_WIN64) || defined(_WINCE)) \
&& !(defined(__GNUC__) || defined(__BORLANDC__) && defined(__clang__)) \
&& !(defined(__BORLANDC__) && (__BORLANDC__ >= 0x600)) \
&& !(defined(__MWERKS__) && (__MWERKS__ <= 0x3003))
# define BOOST_REGEX_HAS_MS_STACK_GUARD
# endif
#elif defined(BOOST_REGEX_HAS_MS_STACK_GUARD)
# undef BOOST_REGEX_HAS_MS_STACK_GUARD
#endif
#if defined(__cplusplus) && defined(BOOST_REGEX_HAS_MS_STACK_GUARD)
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
BOOST_REGEX_DECL void BOOST_REGEX_CALL reset_stack_guard_page();
}
}
#endif
/*****************************************************************************
*
* Algorithm selection and configuration.
* These options are now obsolete for C++11 and later (regex v5).
*
****************************************************************************/
#if !defined(BOOST_REGEX_RECURSIVE) && !defined(BOOST_REGEX_NON_RECURSIVE)
# if defined(BOOST_REGEX_HAS_MS_STACK_GUARD) && !defined(_STLP_DEBUG) && !defined(__STL_DEBUG) && !(defined(_MSC_VER) && (_MSC_VER >= 1400)) && defined(BOOST_REGEX_CXX03)
# define BOOST_REGEX_RECURSIVE
# else
# define BOOST_REGEX_NON_RECURSIVE
# endif
#endif
#ifdef BOOST_REGEX_NON_RECURSIVE
# ifdef BOOST_REGEX_RECURSIVE
# error "Can't set both BOOST_REGEX_RECURSIVE and BOOST_REGEX_NON_RECURSIVE"
# endif
# ifndef BOOST_REGEX_BLOCKSIZE
# define BOOST_REGEX_BLOCKSIZE 4096
# endif
# if BOOST_REGEX_BLOCKSIZE < 512
# error "BOOST_REGEX_BLOCKSIZE must be at least 512"
# endif
# ifndef BOOST_REGEX_MAX_BLOCKS
# define BOOST_REGEX_MAX_BLOCKS 1024
# endif
# ifdef BOOST_REGEX_HAS_MS_STACK_GUARD
# undef BOOST_REGEX_HAS_MS_STACK_GUARD
# endif
# ifndef BOOST_REGEX_MAX_CACHE_BLOCKS
# define BOOST_REGEX_MAX_CACHE_BLOCKS 16
# endif
#endif
/*****************************************************************************
*
* Diagnostics:
*
****************************************************************************/
#ifdef BOOST_REGEX_CONFIG_INFO
BOOST_REGEX_DECL void BOOST_REGEX_CALL print_regex_library_info();
#endif
#if defined(BOOST_REGEX_DIAG)
# pragma message ("BOOST_REGEX_DECL" BOOST_STRINGIZE(=BOOST_REGEX_DECL))
# pragma message ("BOOST_REGEX_CALL" BOOST_STRINGIZE(=BOOST_REGEX_CALL))
# pragma message ("BOOST_REGEX_CCALL" BOOST_STRINGIZE(=BOOST_REGEX_CCALL))
#ifdef BOOST_REGEX_USE_C_LOCALE
# pragma message ("Using C locale in regex traits class")
#elif BOOST_REGEX_USE_CPP_LOCALE
# pragma message ("Using C++ locale in regex traits class")
#else
# pragma message ("Using Win32 locale in regex traits class")
#endif
#if defined(BOOST_REGEX_DYN_LINK) || defined(BOOST_ALL_DYN_LINK)
# pragma message ("Dynamic linking enabled")
#endif
#if defined(BOOST_REGEX_NO_LIB) || defined(BOOST_ALL_NO_LIB)
# pragma message ("Auto-linking disabled")
#endif
#ifdef BOOST_REGEX_NO_EXTERNAL_TEMPLATES
# pragma message ("Extern templates disabled")
#endif
#endif
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE boost/regex/config/borland.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: regex borland-specific config setup.
*/
#if defined(__BORLANDC__) && !defined(__clang__)
# if (__BORLANDC__ == 0x550) || (__BORLANDC__ == 0x551)
// problems with std::basic_string and dll RTL:
# if defined(_RTLDLL) && defined(_RWSTD_COMPILE_INSTANTIATE)
# ifdef BOOST_REGEX_BUILD_DLL
# error _RWSTD_COMPILE_INSTANTIATE must not be defined when building regex++ as a DLL
# else
# pragma message("Defining _RWSTD_COMPILE_INSTANTIATE when linking to the DLL version of the RTL may produce memory corruption problems in std::basic_string, as a result of separate versions of basic_string's static data in the RTL and you're exe/dll: be warned!!")
# endif
# endif
# ifndef _RTLDLL
// this is harmless for a staic link:
# define _RWSTD_COMPILE_INSTANTIATE
# endif
// external templates cause problems for some reason:
# define BOOST_REGEX_NO_EXTERNAL_TEMPLATES
# endif
# if (__BORLANDC__ <= 0x540) && !defined(BOOST_REGEX_NO_LIB) && !defined(_NO_VCL)
// C++ Builder 4 and earlier, we can't tell whether we should be using
// the VCL runtime or not, do a static link instead:
# define BOOST_REGEX_STATIC_LINK
# endif
//
// VCL support:
// if we're building a console app then there can't be any VCL (can there?)
# if !defined(__CONSOLE__) && !defined(_NO_VCL)
# define BOOST_REGEX_USE_VCL
# endif
//
// if this isn't Win32 then don't automatically select link
// libraries:
//
# ifndef _Windows
# ifndef BOOST_REGEX_NO_LIB
# define BOOST_REGEX_NO_LIB
# endif
# ifndef BOOST_REGEX_STATIC_LINK
# define BOOST_REGEX_STATIC_LINK
# endif
# endif
#if __BORLANDC__ < 0x600
//
// string workarounds:
//
#include <cstring>
#undef strcmp
#undef strcpy
#endif
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE boost/regex/config/cwchar.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: regex wide character string fixes.
*/
#ifndef BOOST_REGEX_CONFIG_CWCHAR_HPP
#define BOOST_REGEX_CONFIG_CWCHAR_HPP
#include <cwchar>
#include <cwctype>
#include <boost/config.hpp>
#if defined(__STD_RWCOMPILER_H__) || defined(_RWSTD_VER)
// apparently this is required for the RW STL on Linux:
#undef iswalnum
#undef iswalpha
#undef iswblank
#undef iswcntrl
#undef iswdigit
#undef iswgraph
#undef iswlower
#undef iswprint
#undef iswprint
#undef iswpunct
#undef iswspace
#undef iswupper
#undef iswxdigit
#undef iswctype
#undef towlower
#undef towupper
#undef towctrans
#undef wctrans
#undef wctype
#endif
namespace std{
#ifndef BOOST_NO_STDC_NAMESPACE
extern "C"{
#endif
#ifdef iswalnum
inline int (iswalnum)(wint_t i)
{ return iswalnum(i); }
#undef iswalnum
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswalnum;
#endif
#ifdef iswalpha
inline int (iswalpha)(wint_t i)
{ return iswalpha(i); }
#undef iswalpha
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswalpha;
#endif
#ifdef iswcntrl
inline int (iswcntrl)(wint_t i)
{ return iswcntrl(i); }
#undef iswcntrl
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswcntrl;
#endif
#ifdef iswdigit
inline int (iswdigit)(wint_t i)
{ return iswdigit(i); }
#undef iswdigit
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswdigit;
#endif
#ifdef iswgraph
inline int (iswgraph)(wint_t i)
{ return iswgraph(i); }
#undef iswgraph
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswgraph;
#endif
#ifdef iswlower
inline int (iswlower)(wint_t i)
{ return iswlower(i); }
#undef iswlower
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswlower;
#endif
#ifdef iswprint
inline int (iswprint)(wint_t i)
{ return iswprint(i); }
#undef iswprint
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswprint;
#endif
#ifdef iswpunct
inline int (iswpunct)(wint_t i)
{ return iswpunct(i); }
#undef iswpunct
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswpunct;
#endif
#ifdef iswspace
inline int (iswspace)(wint_t i)
{ return iswspace(i); }
#undef iswspace
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswspace;
#endif
#ifdef iswupper
inline int (iswupper)(wint_t i)
{ return iswupper(i); }
#undef iswupper
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswupper;
#endif
#ifdef iswxdigit
inline int (iswxdigit)(wint_t i)
{ return iswxdigit(i); }
#undef iswxdigit
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::iswxdigit;
#endif
#ifdef towlower
inline wint_t (towlower)(wint_t i)
{ return towlower(i); }
#undef towlower
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::towlower;
#endif
#ifdef towupper
inline wint_t (towupper)(wint_t i)
{ return towupper(i); }
#undef towupper
#elif defined(BOOST_NO_STDC_NAMESPACE)
using :: towupper;
#endif
#ifdef wcscmp
inline int (wcscmp)(const wchar_t *p1, const wchar_t *p2)
{ return wcscmp(p1,p2); }
#undef wcscmp
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::wcscmp;
#endif
#ifdef wcscoll
inline int (wcscoll)(const wchar_t *p1, const wchar_t *p2)
{ return wcscoll(p1,p2); }
#undef wcscoll
#elif defined(BOOST_NO_STDC_NAMESPACE) && !defined(UNDER_CE)
using ::wcscoll;
#endif
#ifdef wcscpy
inline wchar_t *(wcscpy)(wchar_t *p1, const wchar_t *p2)
{ return wcscpy(p1,p2); }
#undef wcscpy
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::wcscpy;
#endif
#ifdef wcslen
inline size_t (wcslen)(const wchar_t *p)
{ return wcslen(p); }
#undef wcslen
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::wcslen;
#endif
#ifdef wcsxfrm
size_t wcsxfrm(wchar_t *p1, const wchar_t *p2, size_t s)
{ return wcsxfrm(p1,p2,s); }
#undef wcsxfrm
#elif defined(BOOST_NO_STDC_NAMESPACE)
using ::wcsxfrm;
#endif
#ifndef BOOST_NO_STDC_NAMESPACE
} // extern "C"
#endif
} // namespace std
#endif

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/*
*
* Copyright (c) 2020
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE icu.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Unicode regular expressions on top of the ICU Library.
*/
#ifndef BOOST_REGEX_ICU_HPP
#define BOOST_REGEX_ICU_HPP
#include <boost/regex/config.hpp>
#ifdef BOOST_REGEX_CXX03
#include <boost/regex/v4/icu.hpp>
#else
#include <boost/regex/v5/icu.hpp>
#endif
#endif

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE mfc.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Overloads and helpers for using MFC/ATL string types with Boost.Regex.
*/
#ifndef BOOST_REGEX_MFC_HPP
#define BOOST_REGEX_MFC_HPP
#include <atlsimpstr.h>
#include <boost/regex.hpp>
namespace boost{
//
// define the types used for TCHAR's:
typedef basic_regex<TCHAR> tregex;
typedef match_results<TCHAR const*> tmatch;
typedef regex_iterator<TCHAR const*> tregex_iterator;
typedef regex_token_iterator<TCHAR const*> tregex_token_iterator;
// Obsolete. Remove
#define SIMPLE_STRING_PARAM class B, bool b
#define SIMPLE_STRING_ARG_LIST B, b
//
// define regex creation functions:
//
template <class B, bool b>
inline basic_regex<B>
make_regex(const ATL::CSimpleStringT<B, b>& s, ::boost::regex_constants::syntax_option_type f = boost::regex_constants::normal)
{
basic_regex<B> result(s.GetString(), s.GetString() + s.GetLength(), f);
return result;
}
//
// regex_match overloads:
//
template <class B, bool b, class A, class T>
inline bool regex_match(const ATL::CSimpleStringT<B, b>& s,
match_results<const B*, A>& what,
const basic_regex<B, T>& e,
boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
return ::boost::regex_match(s.GetString(),
s.GetString() + s.GetLength(),
what,
e,
f);
}
template <class B, bool b, class T>
inline bool regex_match(const ATL::CSimpleStringT<B, b>& s,
const basic_regex<B, T>& e,
boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
return ::boost::regex_match(s.GetString(),
s.GetString() + s.GetLength(),
e,
f);
}
//
// regex_search overloads:
//
template <class B, bool b, class A, class T>
inline bool regex_search(const ATL::CSimpleStringT<B, b>& s,
match_results<const B*, A>& what,
const basic_regex<B, T>& e,
boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
return ::boost::regex_search(s.GetString(),
s.GetString() + s.GetLength(),
what,
e,
f);
}
template <class B, bool b, class T>
inline bool regex_search(const ATL::CSimpleStringT<B, b>& s,
const basic_regex<B, T>& e,
boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
return ::boost::regex_search(s.GetString(),
s.GetString() + s.GetLength(),
e,
f);
}
//
// regex_iterator creation:
//
template <class B, bool b>
inline regex_iterator<B const*>
make_regex_iterator(const ATL::CSimpleStringT<B, b>& s, const basic_regex<B>& e, ::boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
regex_iterator<B const*> result(s.GetString(), s.GetString() + s.GetLength(), e, f);
return result;
}
template <class B, bool b>
inline regex_token_iterator<B const*>
make_regex_token_iterator(const ATL::CSimpleStringT<B, b>& s, const basic_regex<B>& e, int sub = 0, ::boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
regex_token_iterator<B const*> result(s.GetString(), s.GetString() + s.GetLength(), e, sub, f);
return result;
}
template <class B, bool b>
inline regex_token_iterator<B const*>
make_regex_token_iterator(const ATL::CSimpleStringT<B, b>& s, const basic_regex<B>& e, const std::vector<int>& subs, ::boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
regex_token_iterator<B const*> result(s.GetString(), s.GetString() + s.GetLength(), e, subs, f);
return result;
}
template <class B, bool b, std::size_t N>
inline regex_token_iterator<B const*>
make_regex_token_iterator(const ATL::CSimpleStringT<B, b>& s, const basic_regex<B>& e, const int (& subs)[N], ::boost::regex_constants::match_flag_type f = boost::regex_constants::match_default)
{
regex_token_iterator<B const*> result(s.GetString(), s.GetString() + s.GetLength(), e, subs, f);
return result;
}
template <class OutputIterator, class BidirectionalIterator, class traits,
class B, bool b>
OutputIterator regex_replace(OutputIterator out,
BidirectionalIterator first,
BidirectionalIterator last,
const basic_regex<B, traits>& e,
const ATL::CSimpleStringT<B, b>& fmt,
match_flag_type flags = match_default)
{
return ::boost::regex_replace(out, first, last, e, fmt.GetString(), flags);
}
namespace BOOST_REGEX_DETAIL_NS{
template <class B, bool b>
class mfc_string_out_iterator
{
ATL::CSimpleStringT<B, b>* out;
public:
mfc_string_out_iterator(ATL::CSimpleStringT<B, b>& s) : out(&s) {}
mfc_string_out_iterator& operator++() { return *this; }
mfc_string_out_iterator& operator++(int) { return *this; }
mfc_string_out_iterator& operator*() { return *this; }
mfc_string_out_iterator& operator=(B v)
{
out->AppendChar(v);
return *this;
}
typedef std::ptrdiff_t difference_type;
typedef B value_type;
typedef value_type* pointer;
typedef value_type& reference;
typedef std::output_iterator_tag iterator_category;
};
}
template <class traits, class B, bool b>
ATL::CSimpleStringT<B, b> regex_replace(const ATL::CSimpleStringT<B, b>& s,
const basic_regex<B, traits>& e,
const ATL::CSimpleStringT<B, b>& fmt,
match_flag_type flags = match_default)
{
ATL::CSimpleStringT<B, b> result(s.GetManager());
BOOST_REGEX_DETAIL_NS::mfc_string_out_iterator<B, b> i(result);
regex_replace(i, s.GetString(), s.GetString() + s.GetLength(), e, fmt.GetString(), flags);
return result;
}
} // namespace boost.
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE pattern_except.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares pattern-matching exception classes.
*/
#ifndef BOOST_RE_PAT_EXCEPT_HPP
#define BOOST_RE_PAT_EXCEPT_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#ifdef BOOST_REGEX_CXX03
#include <boost/regex/v4/pattern_except.hpp>
#else
#include <boost/regex/v5/pattern_except.hpp>
#endif
#endif

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE object_cache.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Implements a generic object cache.
*/
#ifndef BOOST_REGEX_OBJECT_CACHE_HPP
#define BOOST_REGEX_OBJECT_CACHE_HPP
#include <boost/regex/config.hpp>
#ifdef BOOST_REGEX_CXX03
#include <boost/regex/v4/object_cache.hpp>
#else
#include <boost/regex/v5/object_cache.hpp>
#endif
#endif

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE static_mutex.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares static_mutex lock type, there are three different
* implementations: POSIX pthreads, WIN32 threads, and portable,
* these are described in more detail below.
*/
#ifndef BOOST_REGEX_STATIC_MUTEX_HPP
#define BOOST_REGEX_STATIC_MUTEX_HPP
#include <boost/config.hpp>
#include <boost/regex/config.hpp> // dll import/export options.
#ifdef BOOST_HAS_PTHREADS
#include <pthread.h>
#endif
#if defined(BOOST_HAS_PTHREADS) && defined(PTHREAD_MUTEX_INITIALIZER)
//
// pthreads version:
// simple wrap around a pthread_mutex_t initialized with
// PTHREAD_MUTEX_INITIALIZER.
//
namespace boost{
class static_mutex;
#define BOOST_STATIC_MUTEX_INIT { PTHREAD_MUTEX_INITIALIZER, }
class BOOST_REGEX_DECL scoped_static_mutex_lock
{
public:
scoped_static_mutex_lock(static_mutex& mut, bool lk = true);
~scoped_static_mutex_lock();
inline bool locked()const
{
return m_have_lock;
}
inline operator void const*()const
{
return locked() ? this : 0;
}
void lock();
void unlock();
private:
static_mutex& m_mutex;
bool m_have_lock;
};
class static_mutex
{
public:
typedef scoped_static_mutex_lock scoped_lock;
pthread_mutex_t m_mutex;
};
} // namespace boost
#elif defined(BOOST_HAS_WINTHREADS)
//
// Win32 version:
// Use a 32-bit int as a lock, along with a test-and-set
// implementation using InterlockedCompareExchange.
//
#include <boost/cstdint.hpp>
namespace boost{
class BOOST_REGEX_DECL scoped_static_mutex_lock;
class static_mutex
{
public:
typedef scoped_static_mutex_lock scoped_lock;
boost::int32_t m_mutex;
};
#define BOOST_STATIC_MUTEX_INIT { 0, }
class BOOST_REGEX_DECL scoped_static_mutex_lock
{
public:
scoped_static_mutex_lock(static_mutex& mut, bool lk = true);
~scoped_static_mutex_lock();
operator void const*()const
{
return locked() ? this : 0;
}
bool locked()const
{
return m_have_lock;
}
void lock();
void unlock();
private:
static_mutex& m_mutex;
bool m_have_lock;
scoped_static_mutex_lock(const scoped_static_mutex_lock&);
scoped_static_mutex_lock& operator=(const scoped_static_mutex_lock&);
};
} // namespace
#else
//
// Portable version of a static mutex based on Boost.Thread library:
// This has to use a single mutex shared by all instances of static_mutex
// because boost::call_once doesn't alow us to pass instance information
// down to the initialisation proceedure. In fact the initialisation routine
// may need to be called more than once - but only once per instance.
//
// Since this preprocessor path is almost never taken, we hide these header
// dependencies so that build tools don't find them.
//
#define BOOST_REGEX_H1 <boost/thread/once.hpp>
#define BOOST_REGEX_H2 <boost/thread/recursive_mutex.hpp>
#define BOOST_REGEX_H3 <boost/thread/lock_types.hpp>
#include BOOST_REGEX_H1
#include BOOST_REGEX_H2
#include BOOST_REGEX_H3
#undef BOOST_REGEX_H1
#undef BOOST_REGEX_H2
#undef BOOST_REGEX_H3
namespace boost{
class BOOST_REGEX_DECL scoped_static_mutex_lock;
extern "C" BOOST_REGEX_DECL void boost_regex_free_static_mutex();
class BOOST_REGEX_DECL static_mutex
{
public:
typedef scoped_static_mutex_lock scoped_lock;
static void init();
static boost::recursive_mutex* m_pmutex;
static boost::once_flag m_once;
};
#define BOOST_STATIC_MUTEX_INIT { }
class BOOST_REGEX_DECL scoped_static_mutex_lock
{
public:
scoped_static_mutex_lock(static_mutex& mut, bool lk = true);
~scoped_static_mutex_lock();
operator void const*()const;
bool locked()const;
void lock();
void unlock();
private:
boost::unique_lock<boost::recursive_mutex>* m_plock;
bool m_have_lock;
};
inline scoped_static_mutex_lock::operator void const*()const
{
return locked() ? this : 0;
}
inline bool scoped_static_mutex_lock::locked()const
{
return m_have_lock;
}
} // namespace
#endif
#endif

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/*
*
* Copyright (c) 2020
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE unicode_iterator.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Iterator adapters for converting between different Unicode encodings.
*/
#ifndef BOOST_REGEX_PENDING_UNICODE_ITERATOR_HPP
#define BOOST_REGEX_PENDING_UNICODE_ITERATOR_HPP
#include <boost/regex/config.hpp>
#if defined(BOOST_REGEX_CXX03)
#include <boost/regex/v4/unicode_iterator.hpp>
#else
#include <boost/regex/v5/unicode_iterator.hpp>
#endif
#endif // BOOST_REGEX_PENDING_UNICODE_ITERATOR_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_traits.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares regular expression traits classes.
*/
#ifndef BOOST_REGEX_TRAITS_HPP
#define BOOST_REGEX_TRAITS_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
# include <boost/regex/config.hpp>
#endif
# ifndef BOOST_REGEX_TRAITS_HPP_INCLUDED
#ifdef BOOST_REGEX_CXX03
# include <boost/regex/v4/regex_traits.hpp>
#else
# include <boost/regex/v5/regex_traits.hpp>
#endif
# endif
#endif // include

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE user.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: User settable options.
*/
// define if you want the regex library to use the C locale
// even on Win32:
// #define BOOST_REGEX_USE_C_LOCALE
// define this is you want the regex library to use the C++
// locale:
// #define BOOST_REGEX_USE_CPP_LOCALE
// define this if the runtime library is a dll, and you
// want BOOST_REGEX_DYN_LINK to set up dll exports/imports
// with __declspec(dllexport)/__declspec(dllimport.)
// #define BOOST_REGEX_HAS_DLL_RUNTIME
// define this if you want to dynamically link to regex,
// if the runtime library is also a dll (Probably Win32 specific,
// and has no effect unless BOOST_REGEX_HAS_DLL_RUNTIME is set):
// #define BOOST_REGEX_DYN_LINK
// define this if you don't want the lib to automatically
// select its link libraries:
// #define BOOST_REGEX_NO_LIB
// define this if templates with switch statements cause problems:
// #define BOOST_REGEX_NO_TEMPLATE_SWITCH_MERGE
// define this to disable Win32 support when available:
// #define BOOST_REGEX_NO_W32
// define this if bool is not a real type:
// #define BOOST_REGEX_NO_BOOL
// define this if no template instances are to be placed in
// the library rather than users object files:
// #define BOOST_REGEX_NO_EXTERNAL_TEMPLATES
// define this if the forward declarations in regex_fwd.hpp
// cause more problems than they are worth:
// #define BOOST_REGEX_NO_FWD
// define this if your compiler supports MS Windows structured
// exception handling.
// #define BOOST_REGEX_HAS_MS_STACK_GUARD
// define this if you want to use the recursive algorithm
// even if BOOST_REGEX_HAS_MS_STACK_GUARD is not defined.
// NOTE: OBSOLETE!!
// #define BOOST_REGEX_RECURSIVE
// define this if you want to use the non-recursive
// algorithm, even if the recursive version would be the default.
// NOTE: OBSOLETE!!
// #define BOOST_REGEX_NON_RECURSIVE
// define this if you want to set the size of the memory blocks
// used by the non-recursive algorithm.
// #define BOOST_REGEX_BLOCKSIZE 4096
// define this if you want to set the maximum number of memory blocks
// used by the non-recursive algorithm.
// #define BOOST_REGEX_MAX_BLOCKS 1024
// define this if you want to set the maximum number of memory blocks
// cached by the non-recursive algorithm: Normally this is 16, but can be
// higher if you have multiple threads all using boost.regex, or lower
// if you don't want boost.regex to cache memory.
// #define BOOST_REGEX_MAX_CACHE_BLOCKS 16
// define this if you want to be able to access extended capture
// information in your sub_match's (caution this will slow things
// down quite a bit).
// #define BOOST_REGEX_MATCH_EXTRA
// define this if you want to enable support for Unicode via ICU.
// #define BOOST_HAS_ICU
// define this if you want regex to use __cdecl calling convensions, even when __fastcall is available:
// #define BOOST_REGEX_NO_FASTCALL

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/*
*
* Copyright (c) 1998-2004 John Maddock
* Copyright 2011 Garmin Ltd. or its subsidiaries
*
* Distributed under the Boost Software License, Version 1.0.
* (See accompanying file LICENSE_1_0.txt or copy at
* http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org/ for most recent version.
* FILE basic_regex.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares template class basic_regex.
*/
#ifndef BOOST_REGEX_V5_BASIC_REGEX_HPP
#define BOOST_REGEX_V5_BASIC_REGEX_HPP
#include <vector>
namespace boost{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable : 4251)
#if BOOST_REGEX_MSVC < 1700
# pragma warning(disable : 4231)
#endif
#if BOOST_REGEX_MSVC < 1600
#pragma warning(disable : 4660)
#endif
#if BOOST_REGEX_MSVC < 1910
#pragma warning(disable:4800)
#endif
#endif
namespace BOOST_REGEX_DETAIL_NS{
//
// forward declaration, we will need this one later:
//
template <class charT, class traits>
class basic_regex_parser;
template <class I>
void bubble_down_one(I first, I last)
{
if(first != last)
{
I next = last - 1;
while((next != first) && (*next < *(next-1)))
{
(next-1)->swap(*next);
--next;
}
}
}
static const int hash_value_mask = 1 << (std::numeric_limits<int>::digits - 1);
template <class Iterator>
inline int hash_value_from_capture_name(Iterator i, Iterator j)
{
std::size_t r = 0;
while (i != j)
{
r ^= *i + 0x9e3779b9 + (r << 6) + (r >> 2);
++i;
}
r %= ((std::numeric_limits<int>::max)());
return static_cast<int>(r) | hash_value_mask;
}
class named_subexpressions
{
public:
struct name
{
template <class charT>
name(const charT* i, const charT* j, int idx)
: index(idx)
{
hash = hash_value_from_capture_name(i, j);
}
name(int h, int idx)
: index(idx), hash(h)
{
}
int index;
int hash;
bool operator < (const name& other)const
{
return hash < other.hash;
}
bool operator == (const name& other)const
{
return hash == other.hash;
}
void swap(name& other)
{
std::swap(index, other.index);
std::swap(hash, other.hash);
}
};
typedef std::vector<name>::const_iterator const_iterator;
typedef std::pair<const_iterator, const_iterator> range_type;
named_subexpressions(){}
template <class charT>
void set_name(const charT* i, const charT* j, int index)
{
m_sub_names.push_back(name(i, j, index));
bubble_down_one(m_sub_names.begin(), m_sub_names.end());
}
template <class charT>
int get_id(const charT* i, const charT* j)const
{
name t(i, j, 0);
typename std::vector<name>::const_iterator pos = std::lower_bound(m_sub_names.begin(), m_sub_names.end(), t);
if((pos != m_sub_names.end()) && (*pos == t))
{
return pos->index;
}
return -1;
}
template <class charT>
range_type equal_range(const charT* i, const charT* j)const
{
name t(i, j, 0);
return std::equal_range(m_sub_names.begin(), m_sub_names.end(), t);
}
int get_id(int h)const
{
name t(h, 0);
std::vector<name>::const_iterator pos = std::lower_bound(m_sub_names.begin(), m_sub_names.end(), t);
if((pos != m_sub_names.end()) && (*pos == t))
{
return pos->index;
}
return -1;
}
range_type equal_range(int h)const
{
name t(h, 0);
return std::equal_range(m_sub_names.begin(), m_sub_names.end(), t);
}
private:
std::vector<name> m_sub_names;
};
//
// class regex_data:
// represents the data we wish to expose to the matching algorithms.
//
template <class charT, class traits>
struct regex_data : public named_subexpressions
{
typedef regex_constants::syntax_option_type flag_type;
typedef std::size_t size_type;
regex_data(const ::std::shared_ptr<
::boost::regex_traits_wrapper<traits> >& t)
: m_ptraits(t), m_flags(0), m_status(0), m_expression(0), m_expression_len(0),
m_mark_count(0), m_first_state(0), m_restart_type(0),
m_startmap{ 0 },
m_can_be_null(0), m_word_mask(0), m_has_recursions(false), m_disable_match_any(false) {}
regex_data()
: m_ptraits(new ::boost::regex_traits_wrapper<traits>()), m_flags(0), m_status(0), m_expression(0), m_expression_len(0),
m_mark_count(0), m_first_state(0), m_restart_type(0),
m_startmap{ 0 },
m_can_be_null(0), m_word_mask(0), m_has_recursions(false), m_disable_match_any(false) {}
::std::shared_ptr<
::boost::regex_traits_wrapper<traits>
> m_ptraits; // traits class instance
flag_type m_flags; // flags with which we were compiled
int m_status; // error code (0 implies OK).
const charT* m_expression; // the original expression
std::ptrdiff_t m_expression_len; // the length of the original expression
size_type m_mark_count; // the number of marked sub-expressions
BOOST_REGEX_DETAIL_NS::re_syntax_base* m_first_state; // the first state of the machine
unsigned m_restart_type; // search optimisation type
unsigned char m_startmap[1 << CHAR_BIT]; // which characters can start a match
unsigned int m_can_be_null; // whether we can match a null string
BOOST_REGEX_DETAIL_NS::raw_storage m_data; // the buffer in which our states are constructed
typename traits::char_class_type m_word_mask; // mask used to determine if a character is a word character
std::vector<
std::pair<
std::size_t, std::size_t> > m_subs; // Position of sub-expressions within the *string*.
bool m_has_recursions; // whether we have recursive expressions;
bool m_disable_match_any; // when set we need to disable the match_any flag as it causes different/buggy behaviour.
};
//
// class basic_regex_implementation
// pimpl implementation class for basic_regex.
//
template <class charT, class traits>
class basic_regex_implementation
: public regex_data<charT, traits>
{
public:
typedef regex_constants::syntax_option_type flag_type;
typedef std::ptrdiff_t difference_type;
typedef std::size_t size_type;
typedef typename traits::locale_type locale_type;
typedef const charT* const_iterator;
basic_regex_implementation(){}
basic_regex_implementation(const ::std::shared_ptr<
::boost::regex_traits_wrapper<traits> >& t)
: regex_data<charT, traits>(t) {}
void assign(const charT* arg_first,
const charT* arg_last,
flag_type f)
{
regex_data<charT, traits>* pdat = this;
basic_regex_parser<charT, traits> parser(pdat);
parser.parse(arg_first, arg_last, f);
}
locale_type imbue(locale_type l)
{
return this->m_ptraits->imbue(l);
}
locale_type getloc()const
{
return this->m_ptraits->getloc();
}
std::basic_string<charT> str()const
{
std::basic_string<charT> result;
if(this->m_status == 0)
result = std::basic_string<charT>(this->m_expression, this->m_expression_len);
return result;
}
const_iterator expression()const
{
return this->m_expression;
}
std::pair<const_iterator, const_iterator> subexpression(std::size_t n)const
{
const std::pair<std::size_t, std::size_t>& pi = this->m_subs.at(n);
std::pair<const_iterator, const_iterator> p(expression() + pi.first, expression() + pi.second);
return p;
}
//
// begin, end:
const_iterator begin()const
{
return (this->m_status ? 0 : this->m_expression);
}
const_iterator end()const
{
return (this->m_status ? 0 : this->m_expression + this->m_expression_len);
}
flag_type flags()const
{
return this->m_flags;
}
size_type size()const
{
return this->m_expression_len;
}
int status()const
{
return this->m_status;
}
size_type mark_count()const
{
return this->m_mark_count - 1;
}
const BOOST_REGEX_DETAIL_NS::re_syntax_base* get_first_state()const
{
return this->m_first_state;
}
unsigned get_restart_type()const
{
return this->m_restart_type;
}
const unsigned char* get_map()const
{
return this->m_startmap;
}
const ::boost::regex_traits_wrapper<traits>& get_traits()const
{
return *(this->m_ptraits);
}
bool can_be_null()const
{
return this->m_can_be_null;
}
const regex_data<charT, traits>& get_data()const
{
basic_regex_implementation<charT, traits> const* p = this;
return *static_cast<const regex_data<charT, traits>*>(p);
}
};
} // namespace BOOST_REGEX_DETAIL_NS
//
// class basic_regex:
// represents the compiled
// regular expression:
//
#ifdef BOOST_REGEX_NO_FWD
template <class charT, class traits = regex_traits<charT> >
#else
template <class charT, class traits >
#endif
class basic_regex : public regbase
{
public:
// typedefs:
typedef std::size_t traits_size_type;
typedef typename traits::string_type traits_string_type;
typedef charT char_type;
typedef traits traits_type;
typedef charT value_type;
typedef charT& reference;
typedef const charT& const_reference;
typedef const charT* const_iterator;
typedef const_iterator iterator;
typedef std::ptrdiff_t difference_type;
typedef std::size_t size_type;
typedef regex_constants::syntax_option_type flag_type;
// locale_type
// placeholder for actual locale type used by the
// traits class to localise *this.
typedef typename traits::locale_type locale_type;
public:
explicit basic_regex(){}
explicit basic_regex(const charT* p, flag_type f = regex_constants::normal)
{
assign(p, f);
}
basic_regex(const charT* p1, const charT* p2, flag_type f = regex_constants::normal)
{
assign(p1, p2, f);
}
basic_regex(const charT* p, size_type len, flag_type f)
{
assign(p, len, f);
}
basic_regex(const basic_regex& that)
: m_pimpl(that.m_pimpl) {}
~basic_regex(){}
basic_regex& operator=(const basic_regex& that)
{
return assign(that);
}
basic_regex& operator=(const charT* ptr)
{
return assign(ptr);
}
//
// assign:
basic_regex& assign(const basic_regex& that)
{
m_pimpl = that.m_pimpl;
return *this;
}
basic_regex& assign(const charT* p, flag_type f = regex_constants::normal)
{
return assign(p, p + traits::length(p), f);
}
basic_regex& assign(const charT* p, size_type len, flag_type f)
{
return assign(p, p + len, f);
}
private:
basic_regex& do_assign(const charT* p1,
const charT* p2,
flag_type f);
public:
basic_regex& assign(const charT* p1,
const charT* p2,
flag_type f = regex_constants::normal)
{
return do_assign(p1, p2, f);
}
template <class ST, class SA>
unsigned int set_expression(const std::basic_string<charT, ST, SA>& p, flag_type f = regex_constants::normal)
{
return set_expression(p.data(), p.data() + p.size(), f);
}
template <class ST, class SA>
explicit basic_regex(const std::basic_string<charT, ST, SA>& p, flag_type f = regex_constants::normal)
{
assign(p, f);
}
template <class InputIterator>
basic_regex(InputIterator arg_first, InputIterator arg_last, flag_type f = regex_constants::normal)
{
typedef typename traits::string_type seq_type;
seq_type a(arg_first, arg_last);
if(!a.empty())
assign(static_cast<const charT*>(&*a.begin()), static_cast<const charT*>(&*a.begin() + a.size()), f);
else
assign(static_cast<const charT*>(0), static_cast<const charT*>(0), f);
}
template <class ST, class SA>
basic_regex& operator=(const std::basic_string<charT, ST, SA>& p)
{
return assign(p.data(), p.data() + p.size(), regex_constants::normal);
}
template <class string_traits, class A>
basic_regex& assign(
const std::basic_string<charT, string_traits, A>& s,
flag_type f = regex_constants::normal)
{
return assign(s.data(), s.data() + s.size(), f);
}
template <class InputIterator>
basic_regex& assign(InputIterator arg_first,
InputIterator arg_last,
flag_type f = regex_constants::normal)
{
typedef typename traits::string_type seq_type;
seq_type a(arg_first, arg_last);
if(a.size())
{
const charT* p1 = &*a.begin();
const charT* p2 = &*a.begin() + a.size();
return assign(p1, p2, f);
}
return assign(static_cast<const charT*>(0), static_cast<const charT*>(0), f);
}
//
// locale:
locale_type imbue(locale_type l);
locale_type getloc()const
{
return m_pimpl.get() ? m_pimpl->getloc() : locale_type();
}
//
// getflags:
// retained for backwards compatibility only, "flags"
// is now the preferred name:
flag_type getflags()const
{
return flags();
}
flag_type flags()const
{
return m_pimpl.get() ? m_pimpl->flags() : 0;
}
//
// str:
std::basic_string<charT> str()const
{
return m_pimpl.get() ? m_pimpl->str() : std::basic_string<charT>();
}
//
// begin, end, subexpression:
std::pair<const_iterator, const_iterator> subexpression(std::size_t n)const
{
#ifdef BOOST_REGEX_STANDALONE
if (!m_pimpl.get())
throw std::logic_error("Can't access subexpressions in an invalid regex.");
#else
if(!m_pimpl.get())
boost::throw_exception(std::logic_error("Can't access subexpressions in an invalid regex."));
#endif
return m_pimpl->subexpression(n);
}
const_iterator begin()const
{
return (m_pimpl.get() ? m_pimpl->begin() : 0);
}
const_iterator end()const
{
return (m_pimpl.get() ? m_pimpl->end() : 0);
}
//
// swap:
void swap(basic_regex& that)throw()
{
m_pimpl.swap(that.m_pimpl);
}
//
// size:
size_type size()const
{
return (m_pimpl.get() ? m_pimpl->size() : 0);
}
//
// max_size:
size_type max_size()const
{
return UINT_MAX;
}
//
// empty:
bool empty()const
{
return (m_pimpl.get() ? 0 != m_pimpl->status() : true);
}
size_type mark_count()const
{
return (m_pimpl.get() ? m_pimpl->mark_count() : 0);
}
int status()const
{
return (m_pimpl.get() ? m_pimpl->status() : regex_constants::error_empty);
}
int compare(const basic_regex& that) const
{
if(m_pimpl.get() == that.m_pimpl.get())
return 0;
if(!m_pimpl.get())
return -1;
if(!that.m_pimpl.get())
return 1;
if(status() != that.status())
return status() - that.status();
if(flags() != that.flags())
return flags() - that.flags();
return str().compare(that.str());
}
bool operator==(const basic_regex& e)const
{
return compare(e) == 0;
}
bool operator != (const basic_regex& e)const
{
return compare(e) != 0;
}
bool operator<(const basic_regex& e)const
{
return compare(e) < 0;
}
bool operator>(const basic_regex& e)const
{
return compare(e) > 0;
}
bool operator<=(const basic_regex& e)const
{
return compare(e) <= 0;
}
bool operator>=(const basic_regex& e)const
{
return compare(e) >= 0;
}
//
// The following are deprecated as public interfaces
// but are available for compatibility with earlier versions.
const charT* expression()const
{
return (m_pimpl.get() && !m_pimpl->status() ? m_pimpl->expression() : 0);
}
unsigned int set_expression(const charT* p1, const charT* p2, flag_type f = regex_constants::normal)
{
assign(p1, p2, f | regex_constants::no_except);
return status();
}
unsigned int set_expression(const charT* p, flag_type f = regex_constants::normal)
{
assign(p, f | regex_constants::no_except);
return status();
}
unsigned int error_code()const
{
return status();
}
//
// private access methods:
//
const BOOST_REGEX_DETAIL_NS::re_syntax_base* get_first_state()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->get_first_state();
}
unsigned get_restart_type()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->get_restart_type();
}
const unsigned char* get_map()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->get_map();
}
const ::boost::regex_traits_wrapper<traits>& get_traits()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->get_traits();
}
bool can_be_null()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->can_be_null();
}
const BOOST_REGEX_DETAIL_NS::regex_data<charT, traits>& get_data()const
{
BOOST_REGEX_ASSERT(0 != m_pimpl.get());
return m_pimpl->get_data();
}
std::shared_ptr<BOOST_REGEX_DETAIL_NS::named_subexpressions > get_named_subs()const
{
return m_pimpl;
}
private:
std::shared_ptr<BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits> > m_pimpl;
};
//
// out of line members;
// these are the only members that mutate the basic_regex object,
// and are designed to provide the strong exception guarantee
// (in the event of a throw, the state of the object remains unchanged).
//
template <class charT, class traits>
basic_regex<charT, traits>& basic_regex<charT, traits>::do_assign(const charT* p1,
const charT* p2,
flag_type f)
{
std::shared_ptr<BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits> > temp;
if(!m_pimpl.get())
{
temp = std::shared_ptr<BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits> >(new BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits>());
}
else
{
temp = std::shared_ptr<BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits> >(new BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits>(m_pimpl->m_ptraits));
}
temp->assign(p1, p2, f);
temp.swap(m_pimpl);
return *this;
}
template <class charT, class traits>
typename basic_regex<charT, traits>::locale_type basic_regex<charT, traits>::imbue(locale_type l)
{
std::shared_ptr<BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits> > temp(new BOOST_REGEX_DETAIL_NS::basic_regex_implementation<charT, traits>());
locale_type result = temp->imbue(l);
temp.swap(m_pimpl);
return result;
}
//
// non-members:
//
template <class charT, class traits>
void swap(basic_regex<charT, traits>& e1, basic_regex<charT, traits>& e2)
{
e1.swap(e2);
}
template <class charT, class traits, class traits2>
std::basic_ostream<charT, traits>&
operator << (std::basic_ostream<charT, traits>& os,
const basic_regex<charT, traits2>& e)
{
return (os << e.str());
}
//
// class reg_expression:
// this is provided for backwards compatibility only,
// it is deprecated, no not use!
//
#ifdef BOOST_REGEX_NO_FWD
template <class charT, class traits = regex_traits<charT> >
#else
template <class charT, class traits >
#endif
class reg_expression : public basic_regex<charT, traits>
{
public:
typedef typename basic_regex<charT, traits>::flag_type flag_type;
typedef typename basic_regex<charT, traits>::size_type size_type;
explicit reg_expression(){}
explicit reg_expression(const charT* p, flag_type f = regex_constants::normal)
: basic_regex<charT, traits>(p, f){}
reg_expression(const charT* p1, const charT* p2, flag_type f = regex_constants::normal)
: basic_regex<charT, traits>(p1, p2, f){}
reg_expression(const charT* p, size_type len, flag_type f)
: basic_regex<charT, traits>(p, len, f){}
reg_expression(const reg_expression& that)
: basic_regex<charT, traits>(that) {}
~reg_expression(){}
reg_expression& operator=(const reg_expression& that)
{
return this->assign(that);
}
template <class ST, class SA>
explicit reg_expression(const std::basic_string<charT, ST, SA>& p, flag_type f = regex_constants::normal)
: basic_regex<charT, traits>(p, f)
{
}
template <class InputIterator>
reg_expression(InputIterator arg_first, InputIterator arg_last, flag_type f = regex_constants::normal)
: basic_regex<charT, traits>(arg_first, arg_last, f)
{
}
template <class ST, class SA>
reg_expression& operator=(const std::basic_string<charT, ST, SA>& p)
{
this->assign(p);
return *this;
}
};
#ifdef BOOST_REGEX_MSVC
#pragma warning (pop)
#endif
} // namespace boost
#endif

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE c_regex_traits.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares regular expression traits class that wraps the global C locale.
*/
#ifndef BOOST_C_REGEX_TRAITS_HPP_INCLUDED
#define BOOST_C_REGEX_TRAITS_HPP_INCLUDED
#include <boost/regex/config.hpp>
#include <boost/regex/v5/regex_workaround.hpp>
#include <cctype>
namespace boost{
namespace BOOST_REGEX_DETAIL_NS {
enum
{
char_class_space = 1 << 0,
char_class_print = 1 << 1,
char_class_cntrl = 1 << 2,
char_class_upper = 1 << 3,
char_class_lower = 1 << 4,
char_class_alpha = 1 << 5,
char_class_digit = 1 << 6,
char_class_punct = 1 << 7,
char_class_xdigit = 1 << 8,
char_class_alnum = char_class_alpha | char_class_digit,
char_class_graph = char_class_alnum | char_class_punct,
char_class_blank = 1 << 9,
char_class_word = 1 << 10,
char_class_unicode = 1 << 11,
char_class_horizontal = 1 << 12,
char_class_vertical = 1 << 13
};
}
template <class charT>
struct c_regex_traits;
template<>
struct c_regex_traits<char>
{
c_regex_traits(){}
typedef char char_type;
typedef std::size_t size_type;
typedef std::string string_type;
struct locale_type{};
typedef std::uint32_t char_class_type;
static size_type length(const char_type* p)
{
return (std::strlen)(p);
}
char translate(char c) const
{
return c;
}
char translate_nocase(char c) const
{
return static_cast<char>((std::tolower)(static_cast<unsigned char>(c)));
}
static string_type transform(const char* p1, const char* p2);
static string_type transform_primary(const char* p1, const char* p2);
static char_class_type lookup_classname(const char* p1, const char* p2);
static string_type lookup_collatename(const char* p1, const char* p2);
static bool isctype(char, char_class_type);
static int value(char, int);
locale_type imbue(locale_type l)
{ return l; }
locale_type getloc()const
{ return locale_type(); }
private:
// this type is not copyable:
c_regex_traits(const c_regex_traits&);
c_regex_traits& operator=(const c_regex_traits&);
};
#ifndef BOOST_NO_WREGEX
template<>
struct c_regex_traits<wchar_t>
{
c_regex_traits(){}
typedef wchar_t char_type;
typedef std::size_t size_type;
typedef std::wstring string_type;
struct locale_type{};
typedef std::uint32_t char_class_type;
static size_type length(const char_type* p)
{
return (std::wcslen)(p);
}
wchar_t translate(wchar_t c) const
{
return c;
}
wchar_t translate_nocase(wchar_t c) const
{
return (std::towlower)(c);
}
static string_type transform(const wchar_t* p1, const wchar_t* p2);
static string_type transform_primary(const wchar_t* p1, const wchar_t* p2);
static char_class_type lookup_classname(const wchar_t* p1, const wchar_t* p2);
static string_type lookup_collatename(const wchar_t* p1, const wchar_t* p2);
static bool isctype(wchar_t, char_class_type);
static int value(wchar_t, int);
locale_type imbue(locale_type l)
{ return l; }
locale_type getloc()const
{ return locale_type(); }
private:
// this type is not copyable:
c_regex_traits(const c_regex_traits&);
c_regex_traits& operator=(const c_regex_traits&);
};
#endif // BOOST_NO_WREGEX
inline c_regex_traits<char>::string_type c_regex_traits<char>::transform(const char* p1, const char* p2)
{
std::string result(10, ' ');
std::size_t s = result.size();
std::size_t r;
std::string src(p1, p2);
while (s < (r = std::strxfrm(&*result.begin(), src.c_str(), s)))
{
#if defined(_CPPLIB_VER)
//
// A bug in VC11 and 12 causes the program to hang if we pass a null-string
// to std::strxfrm, but only for certain locales :-(
// Probably effects Intel and Clang or any compiler using the VC std library (Dinkumware).
//
if (r == INT_MAX)
{
result.erase();
result.insert(result.begin(), static_cast<char>(0));
return result;
}
#endif
result.append(r - s + 3, ' ');
s = result.size();
}
result.erase(r);
return result;
}
inline c_regex_traits<char>::string_type c_regex_traits<char>::transform_primary(const char* p1, const char* p2)
{
static char s_delim;
static const int s_collate_type = ::boost::BOOST_REGEX_DETAIL_NS::find_sort_syntax(static_cast<c_regex_traits<char>*>(0), &s_delim);
std::string result;
//
// What we do here depends upon the format of the sort key returned by
// sort key returned by this->transform:
//
switch (s_collate_type)
{
case ::boost::BOOST_REGEX_DETAIL_NS::sort_C:
case ::boost::BOOST_REGEX_DETAIL_NS::sort_unknown:
// the best we can do is translate to lower case, then get a regular sort key:
{
result.assign(p1, p2);
for (std::string::size_type i = 0; i < result.size(); ++i)
result[i] = static_cast<char>((std::tolower)(static_cast<unsigned char>(result[i])));
result = transform(&*result.begin(), &*result.begin() + result.size());
break;
}
case ::boost::BOOST_REGEX_DETAIL_NS::sort_fixed:
{
// get a regular sort key, and then truncate it:
result = transform(p1, p2);
result.erase(s_delim);
break;
}
case ::boost::BOOST_REGEX_DETAIL_NS::sort_delim:
// get a regular sort key, and then truncate everything after the delim:
result = transform(p1, p2);
if ((!result.empty()) && (result[0] == s_delim))
break;
std::size_t i;
for (i = 0; i < result.size(); ++i)
{
if (result[i] == s_delim)
break;
}
result.erase(i);
break;
}
if (result.empty())
result = std::string(1, char(0));
return result;
}
inline c_regex_traits<char>::char_class_type c_regex_traits<char>::lookup_classname(const char* p1, const char* p2)
{
using namespace BOOST_REGEX_DETAIL_NS;
static const char_class_type masks[] =
{
0,
char_class_alnum,
char_class_alpha,
char_class_blank,
char_class_cntrl,
char_class_digit,
char_class_digit,
char_class_graph,
char_class_horizontal,
char_class_lower,
char_class_lower,
char_class_print,
char_class_punct,
char_class_space,
char_class_space,
char_class_upper,
char_class_unicode,
char_class_upper,
char_class_vertical,
char_class_alnum | char_class_word,
char_class_alnum | char_class_word,
char_class_xdigit,
};
int idx = ::boost::BOOST_REGEX_DETAIL_NS::get_default_class_id(p1, p2);
if (idx < 0)
{
std::string s(p1, p2);
for (std::string::size_type i = 0; i < s.size(); ++i)
s[i] = static_cast<char>((std::tolower)(static_cast<unsigned char>(s[i])));
idx = ::boost::BOOST_REGEX_DETAIL_NS::get_default_class_id(&*s.begin(), &*s.begin() + s.size());
}
BOOST_REGEX_ASSERT(std::size_t(idx) + 1u < sizeof(masks) / sizeof(masks[0]));
return masks[idx + 1];
}
inline bool c_regex_traits<char>::isctype(char c, char_class_type mask)
{
using namespace BOOST_REGEX_DETAIL_NS;
return
((mask & char_class_space) && (std::isspace)(static_cast<unsigned char>(c)))
|| ((mask & char_class_print) && (std::isprint)(static_cast<unsigned char>(c)))
|| ((mask & char_class_cntrl) && (std::iscntrl)(static_cast<unsigned char>(c)))
|| ((mask & char_class_upper) && (std::isupper)(static_cast<unsigned char>(c)))
|| ((mask & char_class_lower) && (std::islower)(static_cast<unsigned char>(c)))
|| ((mask & char_class_alpha) && (std::isalpha)(static_cast<unsigned char>(c)))
|| ((mask & char_class_digit) && (std::isdigit)(static_cast<unsigned char>(c)))
|| ((mask & char_class_punct) && (std::ispunct)(static_cast<unsigned char>(c)))
|| ((mask & char_class_xdigit) && (std::isxdigit)(static_cast<unsigned char>(c)))
|| ((mask & char_class_blank) && (std::isspace)(static_cast<unsigned char>(c)) && !::boost::BOOST_REGEX_DETAIL_NS::is_separator(c))
|| ((mask & char_class_word) && (c == '_'))
|| ((mask & char_class_vertical) && (::boost::BOOST_REGEX_DETAIL_NS::is_separator(c) || (c == '\v')))
|| ((mask & char_class_horizontal) && (std::isspace)(static_cast<unsigned char>(c)) && !::boost::BOOST_REGEX_DETAIL_NS::is_separator(c) && (c != '\v'));
}
inline c_regex_traits<char>::string_type c_regex_traits<char>::lookup_collatename(const char* p1, const char* p2)
{
std::string s(p1, p2);
s = ::boost::BOOST_REGEX_DETAIL_NS::lookup_default_collate_name(s);
if (s.empty() && (p2 - p1 == 1))
s.append(1, *p1);
return s;
}
inline int c_regex_traits<char>::value(char c, int radix)
{
char b[2] = { c, '\0', };
char* ep;
int result = std::strtol(b, &ep, radix);
if (ep == b)
return -1;
return result;
}
#ifndef BOOST_NO_WREGEX
inline c_regex_traits<wchar_t>::string_type c_regex_traits<wchar_t>::transform(const wchar_t* p1, const wchar_t* p2)
{
std::size_t r;
std::size_t s = 10;
std::wstring src(p1, p2);
std::wstring result(s, L' ');
while (s < (r = std::wcsxfrm(&*result.begin(), src.c_str(), s)))
{
#if defined(_CPPLIB_VER)
//
// A bug in VC11 and 12 causes the program to hang if we pass a null-string
// to std::strxfrm, but only for certain locales :-(
// Probably effects Intel and Clang or any compiler using the VC std library (Dinkumware).
//
if (r == INT_MAX)
{
result.erase();
result.insert(result.begin(), static_cast<wchar_t>(0));
return result;
}
#endif
result.append(r - s + 3, L' ');
s = result.size();
}
result.erase(r);
return result;
}
inline c_regex_traits<wchar_t>::string_type c_regex_traits<wchar_t>::transform_primary(const wchar_t* p1, const wchar_t* p2)
{
static wchar_t s_delim;
static const int s_collate_type = ::boost::BOOST_REGEX_DETAIL_NS::find_sort_syntax(static_cast<const c_regex_traits<wchar_t>*>(0), &s_delim);
std::wstring result;
//
// What we do here depends upon the format of the sort key returned by
// sort key returned by this->transform:
//
switch (s_collate_type)
{
case ::boost::BOOST_REGEX_DETAIL_NS::sort_C:
case ::boost::BOOST_REGEX_DETAIL_NS::sort_unknown:
// the best we can do is translate to lower case, then get a regular sort key:
{
result.assign(p1, p2);
for (std::wstring::size_type i = 0; i < result.size(); ++i)
result[i] = (std::towlower)(result[i]);
result = c_regex_traits<wchar_t>::transform(&*result.begin(), &*result.begin() + result.size());
break;
}
case ::boost::BOOST_REGEX_DETAIL_NS::sort_fixed:
{
// get a regular sort key, and then truncate it:
result = c_regex_traits<wchar_t>::transform(&*result.begin(), &*result.begin() + result.size());
result.erase(s_delim);
break;
}
case ::boost::BOOST_REGEX_DETAIL_NS::sort_delim:
// get a regular sort key, and then truncate everything after the delim:
result = c_regex_traits<wchar_t>::transform(&*result.begin(), &*result.begin() + result.size());
if ((!result.empty()) && (result[0] == s_delim))
break;
std::size_t i;
for (i = 0; i < result.size(); ++i)
{
if (result[i] == s_delim)
break;
}
result.erase(i);
break;
}
if (result.empty())
result = std::wstring(1, char(0));
return result;
}
inline c_regex_traits<wchar_t>::char_class_type c_regex_traits<wchar_t>::lookup_classname(const wchar_t* p1, const wchar_t* p2)
{
using namespace BOOST_REGEX_DETAIL_NS;
static const char_class_type masks[] =
{
0,
char_class_alnum,
char_class_alpha,
char_class_blank,
char_class_cntrl,
char_class_digit,
char_class_digit,
char_class_graph,
char_class_horizontal,
char_class_lower,
char_class_lower,
char_class_print,
char_class_punct,
char_class_space,
char_class_space,
char_class_upper,
char_class_unicode,
char_class_upper,
char_class_vertical,
char_class_alnum | char_class_word,
char_class_alnum | char_class_word,
char_class_xdigit,
};
int idx = ::boost::BOOST_REGEX_DETAIL_NS::get_default_class_id(p1, p2);
if (idx < 0)
{
std::wstring s(p1, p2);
for (std::wstring::size_type i = 0; i < s.size(); ++i)
s[i] = (std::towlower)(s[i]);
idx = ::boost::BOOST_REGEX_DETAIL_NS::get_default_class_id(&*s.begin(), &*s.begin() + s.size());
}
BOOST_REGEX_ASSERT(idx + 1 < static_cast<int>(sizeof(masks) / sizeof(masks[0])));
return masks[idx + 1];
}
inline bool c_regex_traits<wchar_t>::isctype(wchar_t c, char_class_type mask)
{
using namespace BOOST_REGEX_DETAIL_NS;
return
((mask & char_class_space) && (std::iswspace)(c))
|| ((mask & char_class_print) && (std::iswprint)(c))
|| ((mask & char_class_cntrl) && (std::iswcntrl)(c))
|| ((mask & char_class_upper) && (std::iswupper)(c))
|| ((mask & char_class_lower) && (std::iswlower)(c))
|| ((mask & char_class_alpha) && (std::iswalpha)(c))
|| ((mask & char_class_digit) && (std::iswdigit)(c))
|| ((mask & char_class_punct) && (std::iswpunct)(c))
|| ((mask & char_class_xdigit) && (std::iswxdigit)(c))
|| ((mask & char_class_blank) && (std::iswspace)(c) && !::boost::BOOST_REGEX_DETAIL_NS::is_separator(c))
|| ((mask & char_class_word) && (c == '_'))
|| ((mask & char_class_unicode) && (c & ~static_cast<wchar_t>(0xff)))
|| ((mask & char_class_vertical) && (::boost::BOOST_REGEX_DETAIL_NS::is_separator(c) || (c == L'\v')))
|| ((mask & char_class_horizontal) && (std::iswspace)(c) && !::boost::BOOST_REGEX_DETAIL_NS::is_separator(c) && (c != L'\v'));
}
inline c_regex_traits<wchar_t>::string_type c_regex_traits<wchar_t>::lookup_collatename(const wchar_t* p1, const wchar_t* p2)
{
std::string name;
// Usual msvc warning suppression does not work here with std::string template constructor.... use a workaround instead:
for (const wchar_t* pos = p1; pos != p2; ++pos)
name.push_back((char)*pos);
name = ::boost::BOOST_REGEX_DETAIL_NS::lookup_default_collate_name(name);
if (!name.empty())
return string_type(name.begin(), name.end());
if (p2 - p1 == 1)
return string_type(1, *p1);
return string_type();
}
inline int c_regex_traits<wchar_t>::value(wchar_t c, int radix)
{
#ifdef BOOST_BORLANDC
// workaround for broken wcstol:
if ((std::iswxdigit)(c) == 0)
return -1;
#endif
wchar_t b[2] = { c, '\0', };
wchar_t* ep;
int result = std::wcstol(b, &ep, radix);
if (ep == b)
return -1;
return result;
}
#endif
}
#endif

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/*
*
* Copyright (c) 2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE char_regex_traits.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares deprecated traits classes char_regex_traits<>.
*/
#ifndef BOOST_REGEX_V5_CHAR_REGEX_TRAITS_HPP
#define BOOST_REGEX_V5_CHAR_REGEX_TRAITS_HPP
namespace boost{
namespace deprecated{
//
// class char_regex_traits_i
// provides case insensitive traits classes (deprecated):
template <class charT>
class char_regex_traits_i : public regex_traits<charT> {};
template<>
class char_regex_traits_i<char> : public regex_traits<char>
{
public:
typedef char char_type;
typedef unsigned char uchar_type;
typedef unsigned int size_type;
typedef regex_traits<char> base_type;
};
#ifndef BOOST_NO_WREGEX
template<>
class char_regex_traits_i<wchar_t> : public regex_traits<wchar_t>
{
public:
typedef wchar_t char_type;
typedef unsigned short uchar_type;
typedef unsigned int size_type;
typedef regex_traits<wchar_t> base_type;
};
#endif
} // namespace deprecated
} // namespace boost
#endif // include

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE cregex.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares POSIX API functions
* + boost::RegEx high level wrapper.
*/
#ifndef BOOST_RE_CREGEX_HPP_INCLUDED
#define BOOST_RE_CREGEX_HPP_INCLUDED
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#include <boost/regex/v5/match_flags.hpp>
#include <boost/regex/v5/error_type.hpp>
#ifndef BOOST_REGEX_STANDALONE
#if !defined(BOOST_REGEX_NO_LIB) && !defined(BOOST_REGEX_SOURCE) && !defined(BOOST_ALL_NO_LIB) && defined(__cplusplus)
# define BOOST_LIB_NAME boost_regex
# if defined(BOOST_REGEX_DYN_LINK) || defined(BOOST_ALL_DYN_LINK)
# define BOOST_DYN_LINK
# endif
# ifdef BOOST_REGEX_DIAG
# define BOOST_LIB_DIAGNOSTIC
# endif
# include <boost/config/auto_link.hpp>
#endif
#endif
#ifdef __cplusplus
#include <cstddef>
#else
#include <stddef.h>
#endif
/* include these defs only for POSIX compatablity */
#ifdef __cplusplus
namespace boost{
extern "C" {
#endif
#if defined(__cplusplus)
typedef std::ptrdiff_t regoff_t;
typedef std::size_t regsize_t;
#else
typedef ptrdiff_t regoff_t;
typedef size_t regsize_t;
#endif
typedef struct
{
unsigned int re_magic;
#ifdef __cplusplus
std::size_t re_nsub; /* number of parenthesized subexpressions */
#else
size_t re_nsub;
#endif
const char* re_endp; /* end pointer for REG_PEND */
void* guts; /* none of your business :-) */
match_flag_type eflags; /* none of your business :-) */
} regex_tA;
#ifndef BOOST_NO_WREGEX
typedef struct
{
unsigned int re_magic;
#ifdef __cplusplus
std::size_t re_nsub; /* number of parenthesized subexpressions */
#else
size_t re_nsub;
#endif
const wchar_t* re_endp; /* end pointer for REG_PEND */
void* guts; /* none of your business :-) */
match_flag_type eflags; /* none of your business :-) */
} regex_tW;
#endif
typedef struct
{
regoff_t rm_so; /* start of match */
regoff_t rm_eo; /* end of match */
} regmatch_t;
/* regcomp() flags */
typedef enum{
REG_BASIC = 0000,
REG_EXTENDED = 0001,
REG_ICASE = 0002,
REG_NOSUB = 0004,
REG_NEWLINE = 0010,
REG_NOSPEC = 0020,
REG_PEND = 0040,
REG_DUMP = 0200,
REG_NOCOLLATE = 0400,
REG_ESCAPE_IN_LISTS = 01000,
REG_NEWLINE_ALT = 02000,
REG_PERLEX = 04000,
REG_PERL = REG_EXTENDED | REG_NOCOLLATE | REG_ESCAPE_IN_LISTS | REG_PERLEX,
REG_AWK = REG_EXTENDED | REG_ESCAPE_IN_LISTS,
REG_GREP = REG_BASIC | REG_NEWLINE_ALT,
REG_EGREP = REG_EXTENDED | REG_NEWLINE_ALT,
REG_ASSERT = 15,
REG_INVARG = 16,
REG_ATOI = 255, /* convert name to number (!) */
REG_ITOA = 0400 /* convert number to name (!) */
} reg_comp_flags;
/* regexec() flags */
typedef enum{
REG_NOTBOL = 00001,
REG_NOTEOL = 00002,
REG_STARTEND = 00004
} reg_exec_flags;
/*
* POSIX error codes:
*/
typedef unsigned reg_error_t;
typedef reg_error_t reg_errcode_t; /* backwards compatibility */
static const reg_error_t REG_NOERROR = 0; /* Success. */
static const reg_error_t REG_NOMATCH = 1; /* Didn't find a match (for regexec). */
/* POSIX regcomp return error codes. (In the order listed in the
standard.) */
static const reg_error_t REG_BADPAT = 2; /* Invalid pattern. */
static const reg_error_t REG_ECOLLATE = 3; /* Undefined collating element. */
static const reg_error_t REG_ECTYPE = 4; /* Invalid character class name. */
static const reg_error_t REG_EESCAPE = 5; /* Trailing backslash. */
static const reg_error_t REG_ESUBREG = 6; /* Invalid back reference. */
static const reg_error_t REG_EBRACK = 7; /* Unmatched left bracket. */
static const reg_error_t REG_EPAREN = 8; /* Parenthesis imbalance. */
static const reg_error_t REG_EBRACE = 9; /* Unmatched \{. */
static const reg_error_t REG_BADBR = 10; /* Invalid contents of \{\}. */
static const reg_error_t REG_ERANGE = 11; /* Invalid range end. */
static const reg_error_t REG_ESPACE = 12; /* Ran out of memory. */
static const reg_error_t REG_BADRPT = 13; /* No preceding re for repetition op. */
static const reg_error_t REG_EEND = 14; /* unexpected end of expression */
static const reg_error_t REG_ESIZE = 15; /* expression too big */
static const reg_error_t REG_ERPAREN = 8; /* = REG_EPAREN : unmatched right parenthesis */
static const reg_error_t REG_EMPTY = 17; /* empty expression */
static const reg_error_t REG_E_MEMORY = 15; /* = REG_ESIZE : out of memory */
static const reg_error_t REG_ECOMPLEXITY = 18; /* complexity too high */
static const reg_error_t REG_ESTACK = 19; /* out of stack space */
static const reg_error_t REG_E_PERL = 20; /* Perl (?...) error */
static const reg_error_t REG_E_UNKNOWN = 21; /* unknown error */
static const reg_error_t REG_ENOSYS = 21; /* = REG_E_UNKNOWN : Reserved. */
BOOST_REGEX_DECL int BOOST_REGEX_CCALL regcompA(regex_tA*, const char*, int);
BOOST_REGEX_DECL regsize_t BOOST_REGEX_CCALL regerrorA(int, const regex_tA*, char*, regsize_t);
BOOST_REGEX_DECL int BOOST_REGEX_CCALL regexecA(const regex_tA*, const char*, regsize_t, regmatch_t*, int);
BOOST_REGEX_DECL void BOOST_REGEX_CCALL regfreeA(regex_tA*);
#ifndef BOOST_NO_WREGEX
BOOST_REGEX_DECL int BOOST_REGEX_CCALL regcompW(regex_tW*, const wchar_t*, int);
BOOST_REGEX_DECL regsize_t BOOST_REGEX_CCALL regerrorW(int, const regex_tW*, wchar_t*, regsize_t);
BOOST_REGEX_DECL int BOOST_REGEX_CCALL regexecW(const regex_tW*, const wchar_t*, regsize_t, regmatch_t*, int);
BOOST_REGEX_DECL void BOOST_REGEX_CCALL regfreeW(regex_tW*);
#endif
#ifdef UNICODE
#define regcomp regcompW
#define regerror regerrorW
#define regexec regexecW
#define regfree regfreeW
#define regex_t regex_tW
#else
#define regcomp regcompA
#define regerror regerrorA
#define regexec regexecA
#define regfree regfreeA
#define regex_t regex_tA
#endif
#ifdef __cplusplus
} /* extern "C" */
} /* namespace */
#endif
#endif /* include guard */

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/*
*
* Copyright (c) 2003-2005
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE error_type.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares regular expression error type enumerator.
*/
#ifndef BOOST_REGEX_ERROR_TYPE_HPP
#define BOOST_REGEX_ERROR_TYPE_HPP
#ifdef __cplusplus
namespace boost{
#endif
#ifdef __cplusplus
namespace regex_constants{
enum error_type{
error_ok = 0, /* not used */
error_no_match = 1, /* not used */
error_bad_pattern = 2,
error_collate = 3,
error_ctype = 4,
error_escape = 5,
error_backref = 6,
error_brack = 7,
error_paren = 8,
error_brace = 9,
error_badbrace = 10,
error_range = 11,
error_space = 12,
error_badrepeat = 13,
error_end = 14, /* not used */
error_size = 15,
error_right_paren = 16, /* not used */
error_empty = 17,
error_complexity = 18,
error_stack = 19,
error_perl_extension = 20,
error_unknown = 21
};
}
}
#endif /* __cplusplus */
#endif

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/*
*
* Copyright (c) 2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_match.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Iterator traits for selecting an iterator type as
* an integral constant expression.
*/
#ifndef BOOST_REGEX_ITERATOR_CATEGORY_HPP
#define BOOST_REGEX_ITERATOR_CATEGORY_HPP
#include <iterator>
#include <type_traits>
namespace boost{
namespace detail{
template <class I>
struct is_random_imp
{
private:
typedef typename std::iterator_traits<I>::iterator_category cat;
public:
static const bool value = (std::is_convertible<cat*, std::random_access_iterator_tag*>::value);
};
template <class I>
struct is_random_pointer_imp
{
static const bool value = true;
};
template <bool is_pointer_type>
struct is_random_imp_selector
{
template <class I>
struct rebind
{
typedef is_random_imp<I> type;
};
};
template <>
struct is_random_imp_selector<true>
{
template <class I>
struct rebind
{
typedef is_random_pointer_imp<I> type;
};
};
}
template <class I>
struct is_random_access_iterator
{
private:
typedef detail::is_random_imp_selector< std::is_pointer<I>::value> selector;
typedef typename selector::template rebind<I> bound_type;
typedef typename bound_type::type answer;
public:
static const bool value = answer::value;
};
template <class I>
const bool is_random_access_iterator<I>::value;
}
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE iterator_traits.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares iterator traits workarounds.
*/
#ifndef BOOST_REGEX_V5_ITERATOR_TRAITS_HPP
#define BOOST_REGEX_V5_ITERATOR_TRAITS_HPP
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
template <class T>
struct regex_iterator_traits : public std::iterator_traits<T> {};
} // namespace BOOST_REGEX_DETAIL_NS
} // namespace boost
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE match_flags.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares match_flags type.
*/
#ifndef BOOST_REGEX_V5_MATCH_FLAGS
#define BOOST_REGEX_V5_MATCH_FLAGS
#ifdef __cplusplus
# include <cstdint>
#endif
#ifdef __cplusplus
namespace boost{
namespace regex_constants{
#endif
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#if BOOST_REGEX_MSVC >= 1800
#pragma warning(disable : 26812)
#endif
#endif
typedef enum _match_flags
{
match_default = 0,
match_not_bol = 1, /* first is not start of line */
match_not_eol = match_not_bol << 1, /* last is not end of line */
match_not_bob = match_not_eol << 1, /* first is not start of buffer */
match_not_eob = match_not_bob << 1, /* last is not end of buffer */
match_not_bow = match_not_eob << 1, /* first is not start of word */
match_not_eow = match_not_bow << 1, /* last is not end of word */
match_not_dot_newline = match_not_eow << 1, /* \n is not matched by '.' */
match_not_dot_null = match_not_dot_newline << 1, /* '\0' is not matched by '.' */
match_prev_avail = match_not_dot_null << 1, /* *--first is a valid expression */
match_init = match_prev_avail << 1, /* internal use */
match_any = match_init << 1, /* don't care what we match */
match_not_null = match_any << 1, /* string can't be null */
match_continuous = match_not_null << 1, /* each grep match must continue from */
/* uninterrupted from the previous one */
match_partial = match_continuous << 1, /* find partial matches */
match_stop = match_partial << 1, /* stop after first match (grep) V3 only */
match_not_initial_null = match_stop, /* don't match initial null, V4 only */
match_all = match_stop << 1, /* must find the whole of input even if match_any is set */
match_perl = match_all << 1, /* Use perl matching rules */
match_posix = match_perl << 1, /* Use POSIX matching rules */
match_nosubs = match_posix << 1, /* don't trap marked subs */
match_extra = match_nosubs << 1, /* include full capture information for repeated captures */
match_single_line = match_extra << 1, /* treat text as single line and ignore any \n's when matching ^ and $. */
match_unused1 = match_single_line << 1, /* unused */
match_unused2 = match_unused1 << 1, /* unused */
match_unused3 = match_unused2 << 1, /* unused */
match_max = match_unused3,
format_perl = 0, /* perl style replacement */
format_default = 0, /* ditto. */
format_sed = match_max << 1, /* sed style replacement. */
format_all = format_sed << 1, /* enable all extensions to syntax. */
format_no_copy = format_all << 1, /* don't copy non-matching segments. */
format_first_only = format_no_copy << 1, /* Only replace first occurrence. */
format_is_if = format_first_only << 1, /* internal use only. */
format_literal = format_is_if << 1, /* treat string as a literal */
match_not_any = match_not_bol | match_not_eol | match_not_bob
| match_not_eob | match_not_bow | match_not_eow | match_not_dot_newline
| match_not_dot_null | match_prev_avail | match_init | match_not_null
| match_continuous | match_partial | match_stop | match_not_initial_null
| match_stop | match_all | match_perl | match_posix | match_nosubs
| match_extra | match_single_line | match_unused1 | match_unused2
| match_unused3 | match_max | format_perl | format_default | format_sed
| format_all | format_no_copy | format_first_only | format_is_if
| format_literal
} match_flags;
typedef match_flags match_flag_type;
#ifdef __cplusplus
inline match_flags operator&(match_flags m1, match_flags m2)
{ return static_cast<match_flags>(static_cast<std::int32_t>(m1) & static_cast<std::int32_t>(m2)); }
inline match_flags operator|(match_flags m1, match_flags m2)
{ return static_cast<match_flags>(static_cast<std::int32_t>(m1) | static_cast<std::int32_t>(m2)); }
inline match_flags operator^(match_flags m1, match_flags m2)
{ return static_cast<match_flags>(static_cast<std::int32_t>(m1) ^ static_cast<std::int32_t>(m2)); }
inline match_flags operator~(match_flags m1)
{ return static_cast<match_flags>(~static_cast<std::int32_t>(m1)); }
inline match_flags& operator&=(match_flags& m1, match_flags m2)
{ m1 = m1&m2; return m1; }
inline match_flags& operator|=(match_flags& m1, match_flags m2)
{ m1 = m1|m2; return m1; }
inline match_flags& operator^=(match_flags& m1, match_flags m2)
{ m1 = m1^m2; return m1; }
#endif
#ifdef __cplusplus
} /* namespace regex_constants */
/*
* import names into boost for backwards compatibility:
*/
using regex_constants::match_flag_type;
using regex_constants::match_default;
using regex_constants::match_not_bol;
using regex_constants::match_not_eol;
using regex_constants::match_not_bob;
using regex_constants::match_not_eob;
using regex_constants::match_not_bow;
using regex_constants::match_not_eow;
using regex_constants::match_not_dot_newline;
using regex_constants::match_not_dot_null;
using regex_constants::match_prev_avail;
/* using regex_constants::match_init; */
using regex_constants::match_any;
using regex_constants::match_not_null;
using regex_constants::match_continuous;
using regex_constants::match_partial;
/*using regex_constants::match_stop; */
using regex_constants::match_all;
using regex_constants::match_perl;
using regex_constants::match_posix;
using regex_constants::match_nosubs;
using regex_constants::match_extra;
using regex_constants::match_single_line;
/*using regex_constants::match_max; */
using regex_constants::format_all;
using regex_constants::format_sed;
using regex_constants::format_perl;
using regex_constants::format_default;
using regex_constants::format_no_copy;
using regex_constants::format_first_only;
/*using regex_constants::format_is_if;*/
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
} /* namespace boost */
#endif /* __cplusplus */
#endif /* include guard */

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@@ -0,0 +1,667 @@
/*
*
* Copyright (c) 1998-2009
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE match_results.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares template class match_results.
*/
#ifndef BOOST_REGEX_V5_MATCH_RESULTS_HPP
#define BOOST_REGEX_V5_MATCH_RESULTS_HPP
namespace boost{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable : 4251 4459)
#if BOOST_REGEX_MSVC < 1700
# pragma warning(disable : 4231)
#endif
# if BOOST_REGEX_MSVC < 1600
# pragma warning(disable : 4660)
# endif
#endif
namespace BOOST_REGEX_DETAIL_NS{
class named_subexpressions;
}
template <class BidiIterator, class Allocator>
class match_results
{
private:
typedef std::vector<sub_match<BidiIterator>, Allocator> vector_type;
public:
typedef sub_match<BidiIterator> value_type;
typedef typename std::allocator_traits<Allocator>::value_type const & const_reference;
typedef const_reference reference;
typedef typename vector_type::const_iterator const_iterator;
typedef const_iterator iterator;
typedef typename std::iterator_traits<
BidiIterator>::difference_type difference_type;
typedef typename std::allocator_traits<Allocator>::size_type size_type;
typedef Allocator allocator_type;
typedef typename std::iterator_traits<
BidiIterator>::value_type char_type;
typedef std::basic_string<char_type> string_type;
typedef BOOST_REGEX_DETAIL_NS::named_subexpressions named_sub_type;
// construct/copy/destroy:
explicit match_results(const Allocator& a = Allocator())
: m_subs(a), m_base(), m_null(), m_last_closed_paren(0), m_is_singular(true) {}
//
// IMPORTANT: in the code below, the crazy looking checks around m_is_singular are
// all required because it is illegal to copy a singular iterator.
// See https://svn.boost.org/trac/boost/ticket/3632.
//
match_results(const match_results& m)
: m_subs(m.m_subs), m_base(), m_null(), m_named_subs(m.m_named_subs), m_last_closed_paren(m.m_last_closed_paren), m_is_singular(m.m_is_singular)
{
if(!m_is_singular)
{
m_base = m.m_base;
m_null = m.m_null;
}
}
match_results& operator=(const match_results& m)
{
m_subs = m.m_subs;
m_named_subs = m.m_named_subs;
m_last_closed_paren = m.m_last_closed_paren;
m_is_singular = m.m_is_singular;
if(!m_is_singular)
{
m_base = m.m_base;
m_null = m.m_null;
}
return *this;
}
~match_results(){}
// size:
size_type size() const
{ return empty() ? 0 : m_subs.size() - 2; }
size_type max_size() const
{ return m_subs.max_size(); }
bool empty() const
{ return m_subs.size() < 2; }
// element access:
difference_type length(int sub = 0) const
{
if(m_is_singular)
raise_logic_error();
sub += 2;
if((sub < (int)m_subs.size()) && (sub > 0))
return m_subs[sub].length();
return 0;
}
difference_type length(const char_type* sub) const
{
if(m_is_singular)
raise_logic_error();
const char_type* sub_end = sub;
while(*sub_end) ++sub_end;
return length(named_subexpression_index(sub, sub_end));
}
template <class charT>
difference_type length(const charT* sub) const
{
if(m_is_singular)
raise_logic_error();
const charT* sub_end = sub;
while(*sub_end) ++sub_end;
return length(named_subexpression_index(sub, sub_end));
}
template <class charT, class Traits, class A>
difference_type length(const std::basic_string<charT, Traits, A>& sub) const
{
return length(sub.c_str());
}
difference_type position(size_type sub = 0) const
{
if(m_is_singular)
raise_logic_error();
sub += 2;
if(sub < m_subs.size())
{
const sub_match<BidiIterator>& s = m_subs[sub];
if(s.matched || (sub == 2))
{
return std::distance((BidiIterator)(m_base), (BidiIterator)(s.first));
}
}
return ~static_cast<difference_type>(0);
}
difference_type position(const char_type* sub) const
{
const char_type* sub_end = sub;
while(*sub_end) ++sub_end;
return position(named_subexpression_index(sub, sub_end));
}
template <class charT>
difference_type position(const charT* sub) const
{
const charT* sub_end = sub;
while(*sub_end) ++sub_end;
return position(named_subexpression_index(sub, sub_end));
}
template <class charT, class Traits, class A>
difference_type position(const std::basic_string<charT, Traits, A>& sub) const
{
return position(sub.c_str());
}
string_type str(int sub = 0) const
{
if(m_is_singular)
raise_logic_error();
sub += 2;
string_type result;
if(sub < (int)m_subs.size() && (sub > 0))
{
const sub_match<BidiIterator>& s = m_subs[sub];
if(s.matched)
{
result = s.str();
}
}
return result;
}
string_type str(const char_type* sub) const
{
return (*this)[sub].str();
}
template <class Traits, class A>
string_type str(const std::basic_string<char_type, Traits, A>& sub) const
{
return (*this)[sub].str();
}
template <class charT>
string_type str(const charT* sub) const
{
return (*this)[sub].str();
}
template <class charT, class Traits, class A>
string_type str(const std::basic_string<charT, Traits, A>& sub) const
{
return (*this)[sub].str();
}
const_reference operator[](int sub) const
{
if(m_is_singular && m_subs.empty())
raise_logic_error();
sub += 2;
if(sub < (int)m_subs.size() && (sub >= 0))
{
return m_subs[sub];
}
return m_null;
}
//
// Named sub-expressions:
//
const_reference named_subexpression(const char_type* i, const char_type* j) const
{
//
// Scan for the leftmost *matched* subexpression with the specified named:
//
if(m_is_singular)
raise_logic_error();
BOOST_REGEX_DETAIL_NS::named_subexpressions::range_type r = m_named_subs->equal_range(i, j);
while((r.first != r.second) && ((*this)[r.first->index].matched == false))
++r.first;
return r.first != r.second ? (*this)[r.first->index] : m_null;
}
template <class charT>
const_reference named_subexpression(const charT* i, const charT* j) const
{
static_assert(sizeof(charT) <= sizeof(char_type), "Failed internal logic");
if(i == j)
return m_null;
std::vector<char_type> s;
while(i != j)
s.insert(s.end(), *i++);
return named_subexpression(&*s.begin(), &*s.begin() + s.size());
}
int named_subexpression_index(const char_type* i, const char_type* j) const
{
//
// Scan for the leftmost *matched* subexpression with the specified named.
// If none found then return the leftmost expression with that name,
// otherwise an invalid index:
//
if(m_is_singular)
raise_logic_error();
BOOST_REGEX_DETAIL_NS::named_subexpressions::range_type s, r;
s = r = m_named_subs->equal_range(i, j);
while((r.first != r.second) && ((*this)[r.first->index].matched == false))
++r.first;
if(r.first == r.second)
r = s;
return r.first != r.second ? r.first->index : -20;
}
template <class charT>
int named_subexpression_index(const charT* i, const charT* j) const
{
static_assert(sizeof(charT) <= sizeof(char_type), "Failed internal logic");
if(i == j)
return -20;
std::vector<char_type> s;
while(i != j)
s.insert(s.end(), *i++);
return named_subexpression_index(&*s.begin(), &*s.begin() + s.size());
}
template <class Traits, class A>
const_reference operator[](const std::basic_string<char_type, Traits, A>& s) const
{
return named_subexpression(s.c_str(), s.c_str() + s.size());
}
const_reference operator[](const char_type* p) const
{
const char_type* e = p;
while(*e) ++e;
return named_subexpression(p, e);
}
template <class charT>
const_reference operator[](const charT* p) const
{
static_assert(sizeof(charT) <= sizeof(char_type), "Failed internal logic");
if(*p == 0)
return m_null;
std::vector<char_type> s;
while(*p)
s.insert(s.end(), *p++);
return named_subexpression(&*s.begin(), &*s.begin() + s.size());
}
template <class charT, class Traits, class A>
const_reference operator[](const std::basic_string<charT, Traits, A>& ns) const
{
static_assert(sizeof(charT) <= sizeof(char_type), "Failed internal logic");
if(ns.empty())
return m_null;
std::vector<char_type> s;
for(unsigned i = 0; i < ns.size(); ++i)
s.insert(s.end(), ns[i]);
return named_subexpression(&*s.begin(), &*s.begin() + s.size());
}
const_reference prefix() const
{
if(m_is_singular)
raise_logic_error();
return (*this)[-1];
}
const_reference suffix() const
{
if(m_is_singular)
raise_logic_error();
return (*this)[-2];
}
const_iterator begin() const
{
return (m_subs.size() > 2) ? (m_subs.begin() + 2) : m_subs.end();
}
const_iterator end() const
{
return m_subs.end();
}
// format:
template <class OutputIterator, class Functor>
OutputIterator format(OutputIterator out,
Functor fmt,
match_flag_type flags = format_default) const
{
if(m_is_singular)
raise_logic_error();
typedef typename BOOST_REGEX_DETAIL_NS::compute_functor_type<Functor, match_results<BidiIterator, Allocator>, OutputIterator>::type F;
F func(fmt);
return func(*this, out, flags);
}
template <class Functor>
string_type format(Functor fmt, match_flag_type flags = format_default) const
{
if(m_is_singular)
raise_logic_error();
std::basic_string<char_type> result;
BOOST_REGEX_DETAIL_NS::string_out_iterator<std::basic_string<char_type> > i(result);
typedef typename BOOST_REGEX_DETAIL_NS::compute_functor_type<Functor, match_results<BidiIterator, Allocator>, BOOST_REGEX_DETAIL_NS::string_out_iterator<std::basic_string<char_type> > >::type F;
F func(fmt);
func(*this, i, flags);
return result;
}
// format with locale:
template <class OutputIterator, class Functor, class RegexT>
OutputIterator format(OutputIterator out,
Functor fmt,
match_flag_type flags,
const RegexT& re) const
{
if(m_is_singular)
raise_logic_error();
typedef ::boost::regex_traits_wrapper<typename RegexT::traits_type> traits_type;
typedef typename BOOST_REGEX_DETAIL_NS::compute_functor_type<Functor, match_results<BidiIterator, Allocator>, OutputIterator, traits_type>::type F;
F func(fmt);
return func(*this, out, flags, re.get_traits());
}
template <class RegexT, class Functor>
string_type format(Functor fmt,
match_flag_type flags,
const RegexT& re) const
{
if(m_is_singular)
raise_logic_error();
typedef ::boost::regex_traits_wrapper<typename RegexT::traits_type> traits_type;
std::basic_string<char_type> result;
BOOST_REGEX_DETAIL_NS::string_out_iterator<std::basic_string<char_type> > i(result);
typedef typename BOOST_REGEX_DETAIL_NS::compute_functor_type<Functor, match_results<BidiIterator, Allocator>, BOOST_REGEX_DETAIL_NS::string_out_iterator<std::basic_string<char_type> >, traits_type >::type F;
F func(fmt);
func(*this, i, flags, re.get_traits());
return result;
}
const_reference get_last_closed_paren()const
{
if(m_is_singular)
raise_logic_error();
return m_last_closed_paren == 0 ? m_null : (*this)[m_last_closed_paren];
}
allocator_type get_allocator() const
{
return m_subs.get_allocator();
}
void swap(match_results& that)
{
std::swap(m_subs, that.m_subs);
std::swap(m_named_subs, that.m_named_subs);
std::swap(m_last_closed_paren, that.m_last_closed_paren);
if(m_is_singular)
{
if(!that.m_is_singular)
{
m_base = that.m_base;
m_null = that.m_null;
}
}
else if(that.m_is_singular)
{
that.m_base = m_base;
that.m_null = m_null;
}
else
{
std::swap(m_base, that.m_base);
std::swap(m_null, that.m_null);
}
std::swap(m_is_singular, that.m_is_singular);
}
bool operator==(const match_results& that)const
{
if(m_is_singular)
{
return that.m_is_singular;
}
else if(that.m_is_singular)
{
return false;
}
return (m_subs == that.m_subs) && (m_base == that.m_base) && (m_last_closed_paren == that.m_last_closed_paren);
}
bool operator!=(const match_results& that)const
{ return !(*this == that); }
#ifdef BOOST_REGEX_MATCH_EXTRA
typedef typename sub_match<BidiIterator>::capture_sequence_type capture_sequence_type;
const capture_sequence_type& captures(int i)const
{
if(m_is_singular)
raise_logic_error();
return (*this)[i].captures();
}
#endif
//
// private access functions:
void set_second(BidiIterator i)
{
BOOST_REGEX_ASSERT(m_subs.size() > 2);
m_subs[2].second = i;
m_subs[2].matched = true;
m_subs[0].first = i;
m_subs[0].matched = (m_subs[0].first != m_subs[0].second);
m_null.first = i;
m_null.second = i;
m_null.matched = false;
m_is_singular = false;
}
void set_second(BidiIterator i, size_type pos, bool m = true, bool escape_k = false)
{
if(pos)
m_last_closed_paren = static_cast<int>(pos);
pos += 2;
BOOST_REGEX_ASSERT(m_subs.size() > pos);
m_subs[pos].second = i;
m_subs[pos].matched = m;
if((pos == 2) && !escape_k)
{
m_subs[0].first = i;
m_subs[0].matched = (m_subs[0].first != m_subs[0].second);
m_null.first = i;
m_null.second = i;
m_null.matched = false;
m_is_singular = false;
}
}
void set_size(size_type n, BidiIterator i, BidiIterator j)
{
value_type v(j);
size_type len = m_subs.size();
if(len > n + 2)
{
m_subs.erase(m_subs.begin()+n+2, m_subs.end());
std::fill(m_subs.begin(), m_subs.end(), v);
}
else
{
std::fill(m_subs.begin(), m_subs.end(), v);
if(n+2 != len)
m_subs.insert(m_subs.end(), n+2-len, v);
}
m_subs[1].first = i;
m_last_closed_paren = 0;
}
void set_base(BidiIterator pos)
{
m_base = pos;
}
BidiIterator base()const
{
return m_base;
}
void set_first(BidiIterator i)
{
BOOST_REGEX_ASSERT(m_subs.size() > 2);
// set up prefix:
m_subs[1].second = i;
m_subs[1].matched = (m_subs[1].first != i);
// set up $0:
m_subs[2].first = i;
// zero out everything else:
for(size_type n = 3; n < m_subs.size(); ++n)
{
m_subs[n].first = m_subs[n].second = m_subs[0].second;
m_subs[n].matched = false;
}
}
void set_first(BidiIterator i, size_type pos, bool escape_k = false)
{
BOOST_REGEX_ASSERT(pos+2 < m_subs.size());
if(pos || escape_k)
{
m_subs[pos+2].first = i;
if(escape_k)
{
m_subs[1].second = i;
m_subs[1].matched = (m_subs[1].first != m_subs[1].second);
}
}
else
set_first(i);
}
void maybe_assign(const match_results<BidiIterator, Allocator>& m);
void set_named_subs(std::shared_ptr<named_sub_type> subs)
{
m_named_subs = subs;
}
private:
//
// Error handler called when an uninitialized match_results is accessed:
//
static void raise_logic_error()
{
std::logic_error e("Attempt to access an uninitialized boost::match_results<> class.");
#ifndef BOOST_REGEX_STANDALONE
boost::throw_exception(e);
#else
throw e;
#endif
}
vector_type m_subs; // subexpressions
BidiIterator m_base; // where the search started from
sub_match<BidiIterator> m_null; // a null match
std::shared_ptr<named_sub_type> m_named_subs; // Shared copy of named subs in the regex object
int m_last_closed_paren; // Last ) to be seen - used for formatting
bool m_is_singular; // True if our stored iterators are singular
};
template <class BidiIterator, class Allocator>
void match_results<BidiIterator, Allocator>::maybe_assign(const match_results<BidiIterator, Allocator>& m)
{
if(m_is_singular)
{
*this = m;
return;
}
const_iterator p1, p2;
p1 = begin();
p2 = m.begin();
//
// Distances are measured from the start of *this* match, unless this isn't
// a valid match in which case we use the start of the whole sequence. Note that
// no subsequent match-candidate can ever be to the left of the first match found.
// This ensures that when we are using bidirectional iterators, that distances
// measured are as short as possible, and therefore as efficient as possible
// to compute. Finally note that we don't use the "matched" data member to test
// whether a sub-expression is a valid match, because partial matches set this
// to false for sub-expression 0.
//
BidiIterator l_end = this->suffix().second;
BidiIterator l_base = (p1->first == l_end) ? this->prefix().first : (*this)[0].first;
difference_type len1 = 0;
difference_type len2 = 0;
difference_type base1 = 0;
difference_type base2 = 0;
std::size_t i;
for(i = 0; i < size(); ++i, ++p1, ++p2)
{
//
// Leftmost takes priority over longest; handle special cases
// where distances need not be computed first (an optimisation
// for bidirectional iterators: ensure that we don't accidently
// compute the length of the whole sequence, as this can be really
// expensive).
//
if(p1->first == l_end)
{
if(p2->first != l_end)
{
// p2 must be better than p1, and no need to calculate
// actual distances:
base1 = 1;
base2 = 0;
break;
}
else
{
// *p1 and *p2 are either unmatched or match end-of sequence,
// either way no need to calculate distances:
if((p1->matched == false) && (p2->matched == true))
break;
if((p1->matched == true) && (p2->matched == false))
return;
continue;
}
}
else if(p2->first == l_end)
{
// p1 better than p2, and no need to calculate distances:
return;
}
base1 = std::distance(l_base, p1->first);
base2 = std::distance(l_base, p2->first);
BOOST_REGEX_ASSERT(base1 >= 0);
BOOST_REGEX_ASSERT(base2 >= 0);
if(base1 < base2) return;
if(base2 < base1) break;
len1 = std::distance((BidiIterator)p1->first, (BidiIterator)p1->second);
len2 = std::distance((BidiIterator)p2->first, (BidiIterator)p2->second);
BOOST_REGEX_ASSERT(len1 >= 0);
BOOST_REGEX_ASSERT(len2 >= 0);
if((len1 != len2) || ((p1->matched == false) && (p2->matched == true)))
break;
if((p1->matched == true) && (p2->matched == false))
return;
}
if(i == size())
return;
if(base2 < base1)
*this = m;
else if((len2 > len1) || ((p1->matched == false) && (p2->matched == true)) )
*this = m;
}
template <class BidiIterator, class Allocator>
void swap(match_results<BidiIterator, Allocator>& a, match_results<BidiIterator, Allocator>& b)
{
a.swap(b);
}
template <class charT, class traits, class BidiIterator, class Allocator>
std::basic_ostream<charT, traits>&
operator << (std::basic_ostream<charT, traits>& os,
const match_results<BidiIterator, Allocator>& s)
{
return (os << s.str());
}
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
} // namespace boost
#endif

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/*
* Copyright (c) 2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE mem_block_cache.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: memory block cache used by the non-recursive matcher.
*/
#ifndef BOOST_REGEX_V5_MEM_BLOCK_CACHE_HPP
#define BOOST_REGEX_V5_MEM_BLOCK_CACHE_HPP
#include <new>
#ifdef BOOST_HAS_THREADS
#include <mutex>
#endif
#ifndef BOOST_NO_CXX11_HDR_ATOMIC
#include <atomic>
#if ATOMIC_POINTER_LOCK_FREE == 2
#define BOOST_REGEX_MEM_BLOCK_CACHE_LOCK_FREE
#define BOOST_REGEX_ATOMIC_POINTER std::atomic
#endif
#endif
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
#if BOOST_REGEX_MAX_CACHE_BLOCKS != 0
#ifdef BOOST_REGEX_MEM_BLOCK_CACHE_LOCK_FREE /* lock free implementation */
struct mem_block_cache
{
std::atomic<void*> cache[BOOST_REGEX_MAX_CACHE_BLOCKS];
~mem_block_cache()
{
for (size_t i = 0;i < BOOST_REGEX_MAX_CACHE_BLOCKS; ++i) {
if (cache[i].load()) ::operator delete(cache[i].load());
}
}
void* get()
{
for (size_t i = 0;i < BOOST_REGEX_MAX_CACHE_BLOCKS; ++i) {
void* p = cache[i].load();
if (p != NULL) {
if (cache[i].compare_exchange_strong(p, NULL)) return p;
}
}
return ::operator new(BOOST_REGEX_BLOCKSIZE);
}
void put(void* ptr)
{
for (size_t i = 0;i < BOOST_REGEX_MAX_CACHE_BLOCKS; ++i) {
void* p = cache[i].load();
if (p == NULL) {
if (cache[i].compare_exchange_strong(p, ptr)) return;
}
}
::operator delete(ptr);
}
static mem_block_cache& instance()
{
static mem_block_cache block_cache = { { {nullptr} } };
return block_cache;
}
};
#else /* lock-based implementation */
struct mem_block_node
{
mem_block_node* next;
};
struct mem_block_cache
{
// this member has to be statically initialsed:
mem_block_node* next { nullptr };
unsigned cached_blocks { 0 };
#ifdef BOOST_HAS_THREADS
std::mutex mut;
#endif
~mem_block_cache()
{
while(next)
{
mem_block_node* old = next;
next = next->next;
::operator delete(old);
}
}
void* get()
{
#ifdef BOOST_HAS_THREADS
std::lock_guard<std::mutex> g(mut);
#endif
if(next)
{
mem_block_node* result = next;
next = next->next;
--cached_blocks;
return result;
}
return ::operator new(BOOST_REGEX_BLOCKSIZE);
}
void put(void* p)
{
#ifdef BOOST_HAS_THREADS
std::lock_guard<std::mutex> g(mut);
#endif
if(cached_blocks >= BOOST_REGEX_MAX_CACHE_BLOCKS)
{
::operator delete(p);
}
else
{
mem_block_node* old = static_cast<mem_block_node*>(p);
old->next = next;
next = old;
++cached_blocks;
}
}
static mem_block_cache& instance()
{
static mem_block_cache block_cache;
return block_cache;
}
};
#endif
#endif
#if BOOST_REGEX_MAX_CACHE_BLOCKS == 0
inline void* get_mem_block()
{
return ::operator new(BOOST_REGEX_BLOCKSIZE);
}
inline void put_mem_block(void* p)
{
::operator delete(p);
}
#else
inline void* get_mem_block()
{
return mem_block_cache::instance().get();
}
inline void put_mem_block(void* p)
{
mem_block_cache::instance().put(p);
}
#endif
}
} // namespace boost
#endif

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE object_cache.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Implements a generic object cache.
*/
#ifndef BOOST_REGEX_OBJECT_CACHE_HPP
#define BOOST_REGEX_OBJECT_CACHE_HPP
#include <boost/regex/config.hpp>
#include <memory>
#include <map>
#include <list>
#include <stdexcept>
#include <string>
#ifdef BOOST_HAS_THREADS
#include <mutex>
#endif
namespace boost{
template <class Key, class Object>
class object_cache
{
public:
typedef std::pair< ::std::shared_ptr<Object const>, Key const*> value_type;
typedef std::list<value_type> list_type;
typedef typename list_type::iterator list_iterator;
typedef std::map<Key, list_iterator> map_type;
typedef typename map_type::iterator map_iterator;
typedef typename list_type::size_type size_type;
static std::shared_ptr<Object const> get(const Key& k, size_type l_max_cache_size);
private:
static std::shared_ptr<Object const> do_get(const Key& k, size_type l_max_cache_size);
struct data
{
list_type cont;
map_type index;
};
// Needed by compilers not implementing the resolution to DR45. For reference,
// see http://www.open-std.org/JTC1/SC22/WG21/docs/cwg_defects.html#45.
friend struct data;
};
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable: 4702)
#endif
template <class Key, class Object>
std::shared_ptr<Object const> object_cache<Key, Object>::get(const Key& k, size_type l_max_cache_size)
{
#ifdef BOOST_HAS_THREADS
static std::mutex mut;
std::lock_guard<std::mutex> l(mut);
return do_get(k, l_max_cache_size);
#else
return do_get(k, l_max_cache_size);
#endif
}
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
template <class Key, class Object>
std::shared_ptr<Object const> object_cache<Key, Object>::do_get(const Key& k, size_type l_max_cache_size)
{
typedef typename object_cache<Key, Object>::data object_data;
typedef typename map_type::size_type map_size_type;
static object_data s_data;
//
// see if the object is already in the cache:
//
map_iterator mpos = s_data.index.find(k);
if(mpos != s_data.index.end())
{
//
// Eureka!
// We have a cached item, bump it up the list and return it:
//
if(--(s_data.cont.end()) != mpos->second)
{
// splice out the item we want to move:
list_type temp;
temp.splice(temp.end(), s_data.cont, mpos->second);
// and now place it at the end of the list:
s_data.cont.splice(s_data.cont.end(), temp, temp.begin());
BOOST_REGEX_ASSERT(*(s_data.cont.back().second) == k);
// update index with new position:
mpos->second = --(s_data.cont.end());
BOOST_REGEX_ASSERT(&(mpos->first) == mpos->second->second);
BOOST_REGEX_ASSERT(&(mpos->first) == s_data.cont.back().second);
}
return s_data.cont.back().first;
}
//
// if we get here then the item is not in the cache,
// so create it:
//
std::shared_ptr<Object const> result(new Object(k));
//
// Add it to the list, and index it:
//
s_data.cont.push_back(value_type(result, static_cast<Key const*>(0)));
s_data.index.insert(std::make_pair(k, --(s_data.cont.end())));
s_data.cont.back().second = &(s_data.index.find(k)->first);
map_size_type s = s_data.index.size();
BOOST_REGEX_ASSERT(s_data.index[k]->first.get() == result.get());
BOOST_REGEX_ASSERT(&(s_data.index.find(k)->first) == s_data.cont.back().second);
BOOST_REGEX_ASSERT(s_data.index.find(k)->first == k);
if(s > l_max_cache_size)
{
//
// We have too many items in the list, so we need to start
// popping them off the back of the list, but only if they're
// being held uniquely by us:
//
list_iterator pos = s_data.cont.begin();
list_iterator last = s_data.cont.end();
while((pos != last) && (s > l_max_cache_size))
{
if(pos->first.use_count() == 1)
{
list_iterator condemmed(pos);
++pos;
// now remove the items from our containers,
// then order has to be as follows:
BOOST_REGEX_ASSERT(s_data.index.find(*(condemmed->second)) != s_data.index.end());
s_data.index.erase(*(condemmed->second));
s_data.cont.erase(condemmed);
--s;
}
else
++pos;
}
BOOST_REGEX_ASSERT(s_data.index[k]->first.get() == result.get());
BOOST_REGEX_ASSERT(&(s_data.index.find(k)->first) == s_data.cont.back().second);
BOOST_REGEX_ASSERT(s_data.index.find(k)->first == k);
}
return result;
}
}
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE pattern_except.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares pattern-matching exception classes.
*/
#ifndef BOOST_RE_V5_PAT_EXCEPT_HPP
#define BOOST_RE_V5_PAT_EXCEPT_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#include <cstddef>
#include <stdexcept>
#include <boost/regex/v5/error_type.hpp>
#include <boost/regex/v5/regex_traits_defaults.hpp>
namespace boost{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable : 4275)
#if BOOST_REGEX_MSVC >= 1800
#pragma warning(disable : 26812 4459)
#endif
#endif
class regex_error : public std::runtime_error
{
public:
explicit regex_error(const std::string& s, regex_constants::error_type err = regex_constants::error_unknown, std::ptrdiff_t pos = 0)
: std::runtime_error(s)
, m_error_code(err)
, m_position(pos)
{
}
explicit regex_error(regex_constants::error_type err)
: std::runtime_error(::boost::BOOST_REGEX_DETAIL_NS::get_default_error_string(err))
, m_error_code(err)
, m_position(0)
{
}
~regex_error() noexcept override {}
regex_constants::error_type code()const
{ return m_error_code; }
std::ptrdiff_t position()const
{ return m_position; }
void raise()const
{
#ifndef BOOST_NO_EXCEPTIONS
#ifndef BOOST_REGEX_STANDALONE
::boost::throw_exception(*this);
#else
throw* this;
#endif
#endif
}
private:
regex_constants::error_type m_error_code;
std::ptrdiff_t m_position;
};
typedef regex_error bad_pattern;
typedef regex_error bad_expression;
namespace BOOST_REGEX_DETAIL_NS{
template <class E>
inline void raise_runtime_error(const E& ex)
{
#ifndef BOOST_REGEX_STANDALONE
::boost::throw_exception(ex);
#else
throw ex;
#endif
}
template <class traits>
void raise_error(const traits& t, regex_constants::error_type code)
{
(void)t; // warning suppression
regex_error e(t.error_string(code), code, 0);
::boost::BOOST_REGEX_DETAIL_NS::raise_runtime_error(e);
}
}
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
} // namespace boost
#endif

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/*
*
* Copyright (c) 2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
#ifndef BOOST_REGEX_MATCHER_HPP
#define BOOST_REGEX_MATCHER_HPP
#include <boost/regex/v5/iterator_category.hpp>
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#pragma warning(disable : 4251 4459)
#if BOOST_REGEX_MSVC < 1700
# pragma warning(disable : 4231)
#endif
# if BOOST_REGEX_MSVC < 1600
# pragma warning(disable : 4660)
# endif
#if BOOST_REGEX_MSVC < 1910
#pragma warning(disable:4800)
#endif
#endif
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
//
// error checking API:
//
inline void verify_options(boost::regex_constants::syntax_option_type, match_flag_type mf)
{
//
// can't mix match_extra with POSIX matching rules:
//
if ((mf & match_extra) && (mf & match_posix))
{
std::logic_error msg("Usage Error: Can't mix regular expression captures with POSIX matching rules");
#ifndef BOOST_REGEX_STANDALONE
throw_exception(msg);
#else
throw msg;
#endif
}
}
//
// function can_start:
//
template <class charT>
inline bool can_start(charT c, const unsigned char* map, unsigned char mask)
{
return ((c < static_cast<charT>(0)) ? true : ((c >= static_cast<charT>(1 << CHAR_BIT)) ? true : map[c] & mask));
}
inline bool can_start(char c, const unsigned char* map, unsigned char mask)
{
return map[(unsigned char)c] & mask;
}
inline bool can_start(signed char c, const unsigned char* map, unsigned char mask)
{
return map[(unsigned char)c] & mask;
}
inline bool can_start(unsigned char c, const unsigned char* map, unsigned char mask)
{
return map[c] & mask;
}
inline bool can_start(unsigned short c, const unsigned char* map, unsigned char mask)
{
return ((c >= (1 << CHAR_BIT)) ? true : map[c] & mask);
}
#if defined(WCHAR_MIN) && (WCHAR_MIN == 0) && !defined(BOOST_NO_INTRINSIC_WCHAR_T)
inline bool can_start(wchar_t c, const unsigned char* map, unsigned char mask)
{
return ((c >= static_cast<wchar_t>(1u << CHAR_BIT)) ? true : map[c] & mask);
}
#endif
#if !defined(BOOST_NO_INTRINSIC_WCHAR_T)
inline bool can_start(unsigned int c, const unsigned char* map, unsigned char mask)
{
return (((c >= static_cast<unsigned int>(1u << CHAR_BIT)) ? true : map[c] & mask));
}
#endif
template <class C, class T, class A>
inline int string_compare(const std::basic_string<C,T,A>& s, const C* p)
{
if(0 == *p)
{
if(s.empty() || ((s.size() == 1) && (s[0] == 0)))
return 0;
}
return s.compare(p);
}
template <class Seq, class C>
inline int string_compare(const Seq& s, const C* p)
{
std::size_t i = 0;
while((i < s.size()) && (p[i] == s[i]))
{
++i;
}
return (i == s.size()) ? -(int)p[i] : (int)s[i] - (int)p[i];
}
# define STR_COMP(s,p) string_compare(s,p)
template<class charT>
inline const charT* re_skip_past_null(const charT* p)
{
while (*p != static_cast<charT>(0)) ++p;
return ++p;
}
template <class iterator, class charT, class traits_type, class char_classT>
iterator re_is_set_member(iterator next,
iterator last,
const re_set_long<char_classT>* set_,
const regex_data<charT, traits_type>& e, bool icase)
{
const charT* p = reinterpret_cast<const charT*>(set_+1);
iterator ptr;
unsigned int i;
//bool icase = e.m_flags & regex_constants::icase;
if(next == last) return next;
typedef typename traits_type::string_type traits_string_type;
const ::boost::regex_traits_wrapper<traits_type>& traits_inst = *(e.m_ptraits);
// dwa 9/13/00 suppress incorrect MSVC warning - it claims this is never
// referenced
(void)traits_inst;
// try and match a single character, could be a multi-character
// collating element...
for(i = 0; i < set_->csingles; ++i)
{
ptr = next;
if(*p == static_cast<charT>(0))
{
// treat null string as special case:
if(traits_inst.translate(*ptr, icase))
{
++p;
continue;
}
return set_->isnot ? next : (ptr == next) ? ++next : ptr;
}
else
{
while(*p && (ptr != last))
{
if(traits_inst.translate(*ptr, icase) != *p)
break;
++p;
++ptr;
}
if(*p == static_cast<charT>(0)) // if null we've matched
return set_->isnot ? next : (ptr == next) ? ++next : ptr;
p = re_skip_past_null(p); // skip null
}
}
charT col = traits_inst.translate(*next, icase);
if(set_->cranges || set_->cequivalents)
{
traits_string_type s1;
//
// try and match a range, NB only a single character can match
if(set_->cranges)
{
if((e.m_flags & regex_constants::collate) == 0)
s1.assign(1, col);
else
{
charT a[2] = { col, charT(0), };
s1 = traits_inst.transform(a, a + 1);
}
for(i = 0; i < set_->cranges; ++i)
{
if(STR_COMP(s1, p) >= 0)
{
do{ ++p; }while(*p);
++p;
if(STR_COMP(s1, p) <= 0)
return set_->isnot ? next : ++next;
}
else
{
// skip first string
do{ ++p; }while(*p);
++p;
}
// skip second string
do{ ++p; }while(*p);
++p;
}
}
//
// try and match an equivalence class, NB only a single character can match
if(set_->cequivalents)
{
charT a[2] = { col, charT(0), };
s1 = traits_inst.transform_primary(a, a +1);
for(i = 0; i < set_->cequivalents; ++i)
{
if(STR_COMP(s1, p) == 0)
return set_->isnot ? next : ++next;
// skip string
do{ ++p; }while(*p);
++p;
}
}
}
if(traits_inst.isctype(col, set_->cclasses) == true)
return set_->isnot ? next : ++next;
if((set_->cnclasses != 0) && (traits_inst.isctype(col, set_->cnclasses) == false))
return set_->isnot ? next : ++next;
return set_->isnot ? ++next : next;
}
template <class BidiIterator>
class repeater_count
{
repeater_count** stack;
repeater_count* next;
int state_id;
std::size_t count; // the number of iterations so far
BidiIterator start_pos; // where the last repeat started
repeater_count* unwind_until(int n, repeater_count* p, int current_recursion_id)
{
while(p && (p->state_id != n))
{
if(-2 - current_recursion_id == p->state_id)
return 0;
p = p->next;
if(p && (p->state_id < 0))
{
p = unwind_until(p->state_id, p, current_recursion_id);
if(!p)
return p;
p = p->next;
}
}
return p;
}
public:
repeater_count(repeater_count** s) : stack(s), next(0), state_id(-1), count(0), start_pos() {}
repeater_count(int i, repeater_count** s, BidiIterator start, int current_recursion_id)
: start_pos(start)
{
state_id = i;
stack = s;
next = *stack;
*stack = this;
if((state_id > next->state_id) && (next->state_id >= 0))
count = 0;
else
{
repeater_count* p = next;
p = unwind_until(state_id, p, current_recursion_id);
if(p)
{
count = p->count;
start_pos = p->start_pos;
}
else
count = 0;
}
}
~repeater_count()
{
if(next)
*stack = next;
}
std::size_t get_count() { return count; }
int get_id() { return state_id; }
std::size_t operator++() { return ++count; }
bool check_null_repeat(const BidiIterator& pos, std::size_t max)
{
// this is called when we are about to start a new repeat,
// if the last one was NULL move our count to max,
// otherwise save the current position.
bool result = (count == 0) ? false : (pos == start_pos);
if(result)
count = max;
else
start_pos = pos;
return result;
}
};
struct saved_state;
enum saved_state_type
{
saved_type_end = 0,
saved_type_paren = 1,
saved_type_recurse = 2,
saved_type_assertion = 3,
saved_state_alt = 4,
saved_state_repeater_count = 5,
saved_state_extra_block = 6,
saved_state_greedy_single_repeat = 7,
saved_state_rep_slow_dot = 8,
saved_state_rep_fast_dot = 9,
saved_state_rep_char = 10,
saved_state_rep_short_set = 11,
saved_state_rep_long_set = 12,
saved_state_non_greedy_long_repeat = 13,
saved_state_count = 14
};
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#if BOOST_REGEX_MSVC >= 1800
#pragma warning(disable:26495)
#endif
#endif
template <class Results>
struct recursion_info
{
typedef typename Results::value_type value_type;
typedef typename value_type::iterator iterator;
int idx;
const re_syntax_base* preturn_address;
Results results;
repeater_count<iterator>* repeater_stack;
iterator location_of_start;
};
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
template <class BidiIterator, class Allocator, class traits>
class perl_matcher
{
public:
typedef typename traits::char_type char_type;
typedef perl_matcher<BidiIterator, Allocator, traits> self_type;
typedef bool (self_type::*matcher_proc_type)();
typedef std::size_t traits_size_type;
typedef typename is_byte<char_type>::width_type width_type;
typedef typename std::iterator_traits<BidiIterator>::difference_type difference_type;
typedef match_results<BidiIterator, Allocator> results_type;
perl_matcher(BidiIterator first, BidiIterator end,
match_results<BidiIterator, Allocator>& what,
const basic_regex<char_type, traits>& e,
match_flag_type f,
BidiIterator l_base)
: m_result(what), base(first), last(end),
position(first), backstop(l_base), re(e), traits_inst(e.get_traits()),
m_independent(false), next_count(&rep_obj), rep_obj(&next_count)
, m_recursions(0)
{
construct_init(e, f);
}
bool match();
bool find();
void setf(match_flag_type f)
{ m_match_flags |= f; }
void unsetf(match_flag_type f)
{ m_match_flags &= ~f; }
private:
void construct_init(const basic_regex<char_type, traits>& e, match_flag_type f);
bool find_imp();
bool match_imp();
void estimate_max_state_count(std::random_access_iterator_tag*);
void estimate_max_state_count(void*);
bool match_prefix();
bool match_all_states();
// match procs, stored in s_match_vtable:
bool match_startmark();
bool match_endmark();
bool match_literal();
bool match_start_line();
bool match_end_line();
bool match_wild();
bool match_match();
bool match_word_boundary();
bool match_within_word();
bool match_word_start();
bool match_word_end();
bool match_buffer_start();
bool match_buffer_end();
bool match_backref();
bool match_long_set();
bool match_set();
bool match_jump();
bool match_alt();
bool match_rep();
bool match_combining();
bool match_soft_buffer_end();
bool match_restart_continue();
bool match_long_set_repeat();
bool match_set_repeat();
bool match_char_repeat();
bool match_dot_repeat_fast();
bool match_dot_repeat_slow();
bool match_dot_repeat_dispatch()
{
return ::boost::is_random_access_iterator<BidiIterator>::value ? match_dot_repeat_fast() : match_dot_repeat_slow();
}
bool match_backstep();
bool match_assert_backref();
bool match_toggle_case();
bool match_recursion();
bool match_fail();
bool match_accept();
bool match_commit();
bool match_then();
bool skip_until_paren(int index, bool match = true);
// find procs stored in s_find_vtable:
bool find_restart_any();
bool find_restart_word();
bool find_restart_line();
bool find_restart_buf();
bool find_restart_lit();
private:
// final result structure to be filled in:
match_results<BidiIterator, Allocator>& m_result;
// temporary result for POSIX matches:
std::unique_ptr<match_results<BidiIterator, Allocator> > m_temp_match;
// pointer to actual result structure to fill in:
match_results<BidiIterator, Allocator>* m_presult;
// start of sequence being searched:
BidiIterator base;
// end of sequence being searched:
BidiIterator last;
// current character being examined:
BidiIterator position;
// where to restart next search after failed match attempt:
BidiIterator restart;
// where the current search started from, acts as base for $` during grep:
BidiIterator search_base;
// how far we can go back when matching lookbehind:
BidiIterator backstop;
// the expression being examined:
const basic_regex<char_type, traits>& re;
// the expression's traits class:
const ::boost::regex_traits_wrapper<traits>& traits_inst;
// the next state in the machine being matched:
const re_syntax_base* pstate;
// matching flags in use:
match_flag_type m_match_flags;
// how many states we have examined so far:
std::ptrdiff_t state_count;
// max number of states to examine before giving up:
std::ptrdiff_t max_state_count;
// whether we should ignore case or not:
bool icase;
// set to true when (position == last), indicates that we may have a partial match:
bool m_has_partial_match;
// set to true whenever we get a match:
bool m_has_found_match;
// set to true whenever we're inside an independent sub-expression:
bool m_independent;
// the current repeat being examined:
repeater_count<BidiIterator>* next_count;
// the first repeat being examined (top of linked list):
repeater_count<BidiIterator> rep_obj;
// the mask to pass when matching word boundaries:
typename traits::char_class_type m_word_mask;
// the bitmask to use when determining whether a match_any matches a newline or not:
unsigned char match_any_mask;
// recursion information:
std::vector<recursion_info<results_type> > recursion_stack;
//
// additional members for non-recursive version:
//
typedef bool (self_type::*unwind_proc_type)(bool);
void extend_stack();
bool unwind(bool);
bool unwind_end(bool);
bool unwind_paren(bool);
bool unwind_recursion_stopper(bool);
bool unwind_assertion(bool);
bool unwind_alt(bool);
bool unwind_repeater_counter(bool);
bool unwind_extra_block(bool);
bool unwind_greedy_single_repeat(bool);
bool unwind_slow_dot_repeat(bool);
bool unwind_fast_dot_repeat(bool);
bool unwind_char_repeat(bool);
bool unwind_short_set_repeat(bool);
bool unwind_long_set_repeat(bool);
bool unwind_non_greedy_repeat(bool);
bool unwind_recursion(bool);
bool unwind_recursion_pop(bool);
bool unwind_commit(bool);
bool unwind_then(bool);
bool unwind_case(bool);
void destroy_single_repeat();
void push_matched_paren(int index, const sub_match<BidiIterator>& sub);
void push_recursion_stopper();
void push_assertion(const re_syntax_base* ps, bool positive);
void push_alt(const re_syntax_base* ps);
void push_repeater_count(int i, repeater_count<BidiIterator>** s);
void push_single_repeat(std::size_t c, const re_repeat* r, BidiIterator last_position, int state_id);
void push_non_greedy_repeat(const re_syntax_base* ps);
void push_recursion(int idx, const re_syntax_base* p, results_type* presults, results_type* presults2);
void push_recursion_pop();
void push_case_change(bool);
// pointer to base of stack:
saved_state* m_stack_base;
// pointer to current stack position:
saved_state* m_backup_state;
// how many memory blocks have we used up?:
unsigned used_block_count;
// determines what value to return when unwinding from recursion,
// allows for mixed recursive/non-recursive algorithm:
bool m_recursive_result;
// We have unwound to a lookahead/lookbehind, used by COMMIT/PRUNE/SKIP:
bool m_unwound_lookahead;
// We have unwound to an alternative, used by THEN:
bool m_unwound_alt;
// We are unwinding a commit - used by independent subs to determine whether to stop there or carry on unwinding:
//bool m_unwind_commit;
// Recursion limit:
unsigned m_recursions;
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#if BOOST_REGEX_MSVC >= 1800
#pragma warning(disable:26495)
#endif
#endif
// these operations aren't allowed, so are declared private,
// bodies are provided to keep explicit-instantiation requests happy:
perl_matcher& operator=(const perl_matcher&)
{
return *this;
}
perl_matcher(const perl_matcher& that)
: m_result(that.m_result), re(that.re), traits_inst(that.traits_inst), rep_obj(0) {}
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
};
} // namespace BOOST_REGEX_DETAIL_NS
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
} // namespace boost
//
// include the implementation of perl_matcher:
//
#include <boost/regex/v5/perl_matcher_non_recursive.hpp>
// this one has to be last:
#include <boost/regex/v5/perl_matcher_common.hpp>
#endif

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@@ -0,0 +1,921 @@
/*
*
* Copyright (c) 2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE perl_matcher_common.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Definitions of perl_matcher member functions that are
* common to both the recursive and non-recursive versions.
*/
#ifndef BOOST_REGEX_V5_PERL_MATCHER_COMMON_HPP
#define BOOST_REGEX_V5_PERL_MATCHER_COMMON_HPP
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#pragma warning(disable:4459)
#if BOOST_REGEX_MSVC < 1910
#pragma warning(disable:4800)
#endif
#endif
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#pragma warning(disable:26812)
#endif
template <class BidiIterator, class Allocator, class traits>
void perl_matcher<BidiIterator, Allocator, traits>::construct_init(const basic_regex<char_type, traits>& e, match_flag_type f)
{
typedef typename std::iterator_traits<BidiIterator>::iterator_category category;
typedef typename basic_regex<char_type, traits>::flag_type expression_flag_type;
if(e.empty())
{
// precondition failure: e is not a valid regex.
std::invalid_argument ex("Invalid regular expression object");
#ifndef BOOST_REGEX_STANDALONE
boost::throw_exception(ex);
#else
throw e;
#endif
}
pstate = 0;
m_match_flags = f;
estimate_max_state_count(static_cast<category*>(0));
expression_flag_type re_f = re.flags();
icase = re_f & regex_constants::icase;
if(!(m_match_flags & (match_perl|match_posix)))
{
if((re_f & (regbase::main_option_type|regbase::no_perl_ex)) == 0)
m_match_flags |= match_perl;
else if((re_f & (regbase::main_option_type|regbase::emacs_ex)) == (regbase::basic_syntax_group|regbase::emacs_ex))
m_match_flags |= match_perl;
else if((re_f & (regbase::main_option_type|regbase::literal)) == (regbase::literal))
m_match_flags |= match_perl;
else
m_match_flags |= match_posix;
}
if(m_match_flags & match_posix)
{
m_temp_match.reset(new match_results<BidiIterator, Allocator>());
m_presult = m_temp_match.get();
}
else
m_presult = &m_result;
m_stack_base = 0;
m_backup_state = 0;
// find the value to use for matching word boundaries:
m_word_mask = re.get_data().m_word_mask;
// find bitmask to use for matching '.':
match_any_mask = static_cast<unsigned char>((f & match_not_dot_newline) ? BOOST_REGEX_DETAIL_NS::test_not_newline : BOOST_REGEX_DETAIL_NS::test_newline);
// Disable match_any if requested in the state machine:
if(e.get_data().m_disable_match_any)
m_match_flags &= regex_constants::match_not_any;
}
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
template <class BidiIterator, class Allocator, class traits>
void perl_matcher<BidiIterator, Allocator, traits>::estimate_max_state_count(std::random_access_iterator_tag*)
{
//
// How many states should we allow our machine to visit before giving up?
// This is a heuristic: it takes the greater of O(N^2) and O(NS^2)
// where N is the length of the string, and S is the number of states
// in the machine. It's tempting to up this to O(N^2S) or even O(N^2S^2)
// but these take unreasonably amounts of time to bale out in pathological
// cases.
//
// Calculate NS^2 first:
//
static const std::ptrdiff_t k = 100000;
std::ptrdiff_t dist = std::distance(base, last);
if(dist == 0)
dist = 1;
std::ptrdiff_t states = re.size();
if(states == 0)
states = 1;
if ((std::numeric_limits<std::ptrdiff_t>::max)() / states < states)
{
max_state_count = (std::min)((std::ptrdiff_t)BOOST_REGEX_MAX_STATE_COUNT, (std::numeric_limits<std::ptrdiff_t>::max)() - 2);
return;
}
states *= states;
if((std::numeric_limits<std::ptrdiff_t>::max)() / dist < states)
{
max_state_count = (std::min)((std::ptrdiff_t)BOOST_REGEX_MAX_STATE_COUNT, (std::numeric_limits<std::ptrdiff_t>::max)() - 2);
return;
}
states *= dist;
if((std::numeric_limits<std::ptrdiff_t>::max)() - k < states)
{
max_state_count = (std::min)((std::ptrdiff_t)BOOST_REGEX_MAX_STATE_COUNT, (std::numeric_limits<std::ptrdiff_t>::max)() - 2);
return;
}
states += k;
max_state_count = states;
//
// Now calculate N^2:
//
states = dist;
if((std::numeric_limits<std::ptrdiff_t>::max)() / dist < states)
{
max_state_count = (std::min)((std::ptrdiff_t)BOOST_REGEX_MAX_STATE_COUNT, (std::numeric_limits<std::ptrdiff_t>::max)() - 2);
return;
}
states *= dist;
if((std::numeric_limits<std::ptrdiff_t>::max)() - k < states)
{
max_state_count = (std::min)((std::ptrdiff_t)BOOST_REGEX_MAX_STATE_COUNT, (std::numeric_limits<std::ptrdiff_t>::max)() - 2);
return;
}
states += k;
//
// N^2 can be a very large number indeed, to prevent things getting out
// of control, cap the max states:
//
if(states > BOOST_REGEX_MAX_STATE_COUNT)
states = BOOST_REGEX_MAX_STATE_COUNT;
//
// If (the possibly capped) N^2 is larger than our first estimate,
// use this instead:
//
if(states > max_state_count)
max_state_count = states;
}
template <class BidiIterator, class Allocator, class traits>
inline void perl_matcher<BidiIterator, Allocator, traits>::estimate_max_state_count(void*)
{
// we don't know how long the sequence is:
max_state_count = BOOST_REGEX_MAX_STATE_COUNT;
}
template <class BidiIterator, class Allocator, class traits>
inline bool perl_matcher<BidiIterator, Allocator, traits>::match()
{
return match_imp();
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_imp()
{
// initialise our stack if we are non-recursive:
save_state_init init(&m_stack_base, &m_backup_state);
used_block_count = BOOST_REGEX_MAX_BLOCKS;
#if !defined(BOOST_NO_EXCEPTIONS)
try{
#endif
// reset our state machine:
position = base;
search_base = base;
state_count = 0;
m_match_flags |= regex_constants::match_all;
m_presult->set_size((m_match_flags & match_nosubs) ? 1u : static_cast<typename results_type::size_type>(1u + re.mark_count()), search_base, last);
m_presult->set_base(base);
m_presult->set_named_subs(this->re.get_named_subs());
if(m_match_flags & match_posix)
m_result = *m_presult;
verify_options(re.flags(), m_match_flags);
if(0 == match_prefix())
return false;
return (m_result[0].second == last) && (m_result[0].first == base);
#if !defined(BOOST_NO_EXCEPTIONS)
}
catch(...)
{
// unwind all pushed states, apart from anything else this
// ensures that all the states are correctly destructed
// not just the memory freed.
while(unwind(true)){}
throw;
}
#endif
}
template <class BidiIterator, class Allocator, class traits>
inline bool perl_matcher<BidiIterator, Allocator, traits>::find()
{
return find_imp();
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_imp()
{
static matcher_proc_type const s_find_vtable[7] =
{
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_any,
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_word,
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_line,
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_buf,
&perl_matcher<BidiIterator, Allocator, traits>::match_prefix,
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_lit,
&perl_matcher<BidiIterator, Allocator, traits>::find_restart_lit,
};
// initialise our stack if we are non-recursive:
save_state_init init(&m_stack_base, &m_backup_state);
used_block_count = BOOST_REGEX_MAX_BLOCKS;
#if !defined(BOOST_NO_EXCEPTIONS)
try{
#endif
state_count = 0;
if((m_match_flags & regex_constants::match_init) == 0)
{
// reset our state machine:
search_base = position = base;
pstate = re.get_first_state();
m_presult->set_size((m_match_flags & match_nosubs) ? 1u : static_cast<typename results_type::size_type>(1u + re.mark_count()), base, last);
m_presult->set_base(base);
m_presult->set_named_subs(this->re.get_named_subs());
m_match_flags |= regex_constants::match_init;
}
else
{
// start again:
search_base = position = m_result[0].second;
// If last match was null and match_not_null was not set then increment
// our start position, otherwise we go into an infinite loop:
if(((m_match_flags & match_not_null) == 0) && (m_result.length() == 0))
{
if(position == last)
return false;
else
++position;
}
// reset $` start:
m_presult->set_size((m_match_flags & match_nosubs) ? 1u : static_cast<typename results_type::size_type>(1u + re.mark_count()), search_base, last);
//if((base != search_base) && (base == backstop))
// m_match_flags |= match_prev_avail;
}
if(m_match_flags & match_posix)
{
m_result.set_size(static_cast<typename results_type::size_type>(1u + re.mark_count()), base, last);
m_result.set_base(base);
}
verify_options(re.flags(), m_match_flags);
// find out what kind of expression we have:
unsigned type = (m_match_flags & match_continuous) ?
static_cast<unsigned int>(regbase::restart_continue)
: static_cast<unsigned int>(re.get_restart_type());
// call the appropriate search routine:
matcher_proc_type proc = s_find_vtable[type];
return (this->*proc)();
#if !defined(BOOST_NO_EXCEPTIONS)
}
catch(...)
{
// unwind all pushed states, apart from anything else this
// ensures that all the states are correctly destructed
// not just the memory freed.
while(unwind(true)){}
throw;
}
#endif
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_prefix()
{
m_has_partial_match = false;
m_has_found_match = false;
pstate = re.get_first_state();
m_presult->set_first(position);
restart = position;
match_all_states();
if(!m_has_found_match && m_has_partial_match && (m_match_flags & match_partial))
{
m_has_found_match = true;
m_presult->set_second(last, 0, false);
position = last;
if((m_match_flags & match_posix) == match_posix)
{
m_result.maybe_assign(*m_presult);
}
}
#ifdef BOOST_REGEX_MATCH_EXTRA
if(m_has_found_match && (match_extra & m_match_flags))
{
//
// we have a match, reverse the capture information:
//
for(unsigned i = 0; i < m_presult->size(); ++i)
{
typename sub_match<BidiIterator>::capture_sequence_type & seq = ((*m_presult)[i]).get_captures();
std::reverse(seq.begin(), seq.end());
}
}
#endif
if(!m_has_found_match)
position = restart; // reset search postion
return m_has_found_match;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_literal()
{
unsigned int len = static_cast<const re_literal*>(pstate)->length;
const char_type* what = reinterpret_cast<const char_type*>(static_cast<const re_literal*>(pstate) + 1);
//
// compare string with what we stored in
// our records:
for(unsigned int i = 0; i < len; ++i, ++position)
{
if((position == last) || (traits_inst.translate(*position, icase) != what[i]))
return false;
}
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_start_line()
{
if(position == backstop)
{
if((m_match_flags & match_prev_avail) == 0)
{
if((m_match_flags & match_not_bol) == 0)
{
pstate = pstate->next.p;
return true;
}
return false;
}
}
else if(m_match_flags & match_single_line)
return false;
// check the previous value character:
BidiIterator t(position);
--t;
if(position != last)
{
if(is_separator(*t) && !((*t == static_cast<char_type>('\r')) && (*position == static_cast<char_type>('\n'))) )
{
pstate = pstate->next.p;
return true;
}
}
else if(is_separator(*t))
{
pstate = pstate->next.p;
return true;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_end_line()
{
if(position != last)
{
if(m_match_flags & match_single_line)
return false;
// we're not yet at the end so *first is always valid:
if(is_separator(*position))
{
if((position != backstop) || (m_match_flags & match_prev_avail))
{
// check that we're not in the middle of \r\n sequence
BidiIterator t(position);
--t;
if((*t == static_cast<char_type>('\r')) && (*position == static_cast<char_type>('\n')))
{
return false;
}
}
pstate = pstate->next.p;
return true;
}
}
else if((m_match_flags & match_not_eol) == 0)
{
pstate = pstate->next.p;
return true;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_wild()
{
if(position == last)
return false;
if(is_separator(*position) && ((match_any_mask & static_cast<const re_dot*>(pstate)->mask) == 0))
return false;
if((*position == char_type(0)) && (m_match_flags & match_not_dot_null))
return false;
pstate = pstate->next.p;
++position;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_word_boundary()
{
bool b; // indcates whether next character is a word character
if(position != last)
{
// prev and this character must be opposites:
b = traits_inst.isctype(*position, m_word_mask);
}
else
{
if (m_match_flags & match_not_eow)
return false;
b = false;
}
if((position == backstop) && ((m_match_flags & match_prev_avail) == 0))
{
if(m_match_flags & match_not_bow)
return false;
else
b ^= false;
}
else
{
--position;
b ^= traits_inst.isctype(*position, m_word_mask);
++position;
}
if(b)
{
pstate = pstate->next.p;
return true;
}
return false; // no match if we get to here...
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_within_word()
{
bool b = !match_word_boundary();
if(b)
pstate = pstate->next.p;
return b;
/*
if(position == last)
return false;
// both prev and this character must be m_word_mask:
bool prev = traits_inst.isctype(*position, m_word_mask);
{
bool b;
if((position == backstop) && ((m_match_flags & match_prev_avail) == 0))
return false;
else
{
--position;
b = traits_inst.isctype(*position, m_word_mask);
++position;
}
if(b == prev)
{
pstate = pstate->next.p;
return true;
}
}
return false;
*/
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_word_start()
{
if(position == last)
return false; // can't be starting a word if we're already at the end of input
if(!traits_inst.isctype(*position, m_word_mask))
return false; // next character isn't a word character
if((position == backstop) && ((m_match_flags & match_prev_avail) == 0))
{
if(m_match_flags & match_not_bow)
return false; // no previous input
}
else
{
// otherwise inside buffer:
BidiIterator t(position);
--t;
if(traits_inst.isctype(*t, m_word_mask))
return false; // previous character not non-word
}
// OK we have a match:
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_word_end()
{
if((position == backstop) && ((m_match_flags & match_prev_avail) == 0))
return false; // start of buffer can't be end of word
BidiIterator t(position);
--t;
if(traits_inst.isctype(*t, m_word_mask) == false)
return false; // previous character wasn't a word character
if(position == last)
{
if(m_match_flags & match_not_eow)
return false; // end of buffer but not end of word
}
else
{
// otherwise inside buffer:
if(traits_inst.isctype(*position, m_word_mask))
return false; // next character is a word character
}
pstate = pstate->next.p;
return true; // if we fall through to here then we've succeeded
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_buffer_start()
{
if((position != backstop) || (m_match_flags & match_not_bob))
return false;
// OK match:
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_buffer_end()
{
if((position != last) || (m_match_flags & match_not_eob))
return false;
// OK match:
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_backref()
{
//
// Compare with what we previously matched.
// Note that this succeeds if the backref did not partisipate
// in the match, this is in line with ECMAScript, but not Perl
// or PCRE.
//
int index = static_cast<const re_brace*>(pstate)->index;
if(index >= hash_value_mask)
{
named_subexpressions::range_type r = re.get_data().equal_range(index);
BOOST_REGEX_ASSERT(r.first != r.second);
do
{
index = r.first->index;
++r.first;
}while((r.first != r.second) && ((*m_presult)[index].matched != true));
}
if((m_match_flags & match_perl) && !(*m_presult)[index].matched)
return false;
BidiIterator i = (*m_presult)[index].first;
BidiIterator j = (*m_presult)[index].second;
while(i != j)
{
if((position == last) || (traits_inst.translate(*position, icase) != traits_inst.translate(*i, icase)))
return false;
++i;
++position;
}
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_long_set()
{
typedef typename traits::char_class_type char_class_type;
// let the traits class do the work:
if(position == last)
return false;
BidiIterator t = re_is_set_member(position, last, static_cast<const re_set_long<char_class_type>*>(pstate), re.get_data(), icase);
if(t != position)
{
pstate = pstate->next.p;
position = t;
return true;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_set()
{
if(position == last)
return false;
if(static_cast<const re_set*>(pstate)->_map[static_cast<unsigned char>(traits_inst.translate(*position, icase))])
{
pstate = pstate->next.p;
++position;
return true;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_jump()
{
pstate = static_cast<const re_jump*>(pstate)->alt.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_combining()
{
if(position == last)
return false;
if(is_combining(traits_inst.translate(*position, icase)))
return false;
++position;
while((position != last) && is_combining(traits_inst.translate(*position, icase)))
++position;
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_soft_buffer_end()
{
if(m_match_flags & match_not_eob)
return false;
BidiIterator p(position);
while((p != last) && is_separator(traits_inst.translate(*p, icase)))++p;
if(p != last)
return false;
pstate = pstate->next.p;
return true;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_restart_continue()
{
if(position == search_base)
{
pstate = pstate->next.p;
return true;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_backstep()
{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable:4127)
#endif
if( ::boost::is_random_access_iterator<BidiIterator>::value)
{
std::ptrdiff_t maxlen = std::distance(backstop, position);
if(maxlen < static_cast<const re_brace*>(pstate)->index)
return false;
std::advance(position, -static_cast<const re_brace*>(pstate)->index);
}
else
{
int c = static_cast<const re_brace*>(pstate)->index;
while(c--)
{
if(position == backstop)
return false;
--position;
}
}
pstate = pstate->next.p;
return true;
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
}
template <class BidiIterator, class Allocator, class traits>
inline bool perl_matcher<BidiIterator, Allocator, traits>::match_assert_backref()
{
// return true if marked sub-expression N has been matched:
int index = static_cast<const re_brace*>(pstate)->index;
bool result = false;
if(index == 9999)
{
// Magic value for a (DEFINE) block:
return false;
}
else if(index > 0)
{
// Have we matched subexpression "index"?
// Check if index is a hash value:
if(index >= hash_value_mask)
{
named_subexpressions::range_type r = re.get_data().equal_range(index);
while(r.first != r.second)
{
if((*m_presult)[r.first->index].matched)
{
result = true;
break;
}
++r.first;
}
}
else
{
result = (*m_presult)[index].matched;
}
pstate = pstate->next.p;
}
else
{
// Have we recursed into subexpression "index"?
// If index == 0 then check for any recursion at all, otherwise for recursion to -index-1.
int idx = -(index+1);
if(idx >= hash_value_mask)
{
named_subexpressions::range_type r = re.get_data().equal_range(idx);
int stack_index = recursion_stack.empty() ? -1 : recursion_stack.back().idx;
while(r.first != r.second)
{
result |= (stack_index == r.first->index);
if(result)break;
++r.first;
}
}
else
{
result = !recursion_stack.empty() && ((recursion_stack.back().idx == idx) || (index == 0));
}
pstate = pstate->next.p;
}
return result;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_fail()
{
// Just force a backtrack:
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::match_accept()
{
if(!recursion_stack.empty())
{
return skip_until_paren(recursion_stack.back().idx);
}
else
{
return skip_until_paren(INT_MAX);
}
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_restart_any()
{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable:4127)
#endif
const unsigned char* _map = re.get_map();
while(true)
{
// skip everything we can't match:
while((position != last) && !can_start(*position, _map, (unsigned char)mask_any) )
++position;
if(position == last)
{
// run out of characters, try a null match if possible:
if(re.can_be_null())
return match_prefix();
break;
}
// now try and obtain a match:
if(match_prefix())
return true;
if(position == last)
return false;
++position;
}
return false;
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_restart_word()
{
#ifdef BOOST_REGEX_MSVC
#pragma warning(push)
#pragma warning(disable:4127)
#endif
// do search optimised for word starts:
const unsigned char* _map = re.get_map();
if((m_match_flags & match_prev_avail) || (position != base))
--position;
else if(match_prefix())
return true;
do
{
while((position != last) && traits_inst.isctype(*position, m_word_mask))
++position;
while((position != last) && !traits_inst.isctype(*position, m_word_mask))
++position;
if(position == last)
break;
if(can_start(*position, _map, (unsigned char)mask_any) )
{
if(match_prefix())
return true;
}
if(position == last)
break;
} while(true);
return false;
#ifdef BOOST_REGEX_MSVC
#pragma warning(pop)
#endif
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_restart_line()
{
// do search optimised for line starts:
const unsigned char* _map = re.get_map();
if(match_prefix())
return true;
while(position != last)
{
while((position != last) && !is_separator(*position))
++position;
if(position == last)
return false;
++position;
if(position == last)
{
if(re.can_be_null() && match_prefix())
return true;
return false;
}
if( can_start(*position, _map, (unsigned char)mask_any) )
{
if(match_prefix())
return true;
}
if(position == last)
return false;
//++position;
}
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_restart_buf()
{
if((position == base) && ((m_match_flags & match_not_bob) == 0))
return match_prefix();
return false;
}
template <class BidiIterator, class Allocator, class traits>
bool perl_matcher<BidiIterator, Allocator, traits>::find_restart_lit()
{
return false;
}
} // namespace BOOST_REGEX_DETAIL_NS
} // namespace boost
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE: primary_transform.hpp
* VERSION: see <boost/version.hpp>
* DESCRIPTION: Heuristically determines the sort string format in use
* by the current locale.
*/
#ifndef BOOST_REGEX_PRIMARY_TRANSFORM
#define BOOST_REGEX_PRIMARY_TRANSFORM
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
enum{
sort_C,
sort_fixed,
sort_delim,
sort_unknown
};
template <class S, class charT>
unsigned count_chars(const S& s, charT c)
{
//
// Count how many occurrences of character c occur
// in string s: if c is a delimeter between collation
// fields, then this should be the same value for all
// sort keys:
//
unsigned int count = 0;
for(unsigned pos = 0; pos < s.size(); ++pos)
{
if(s[pos] == c) ++count;
}
return count;
}
template <class traits, class charT>
unsigned find_sort_syntax(const traits* pt, charT* delim)
{
//
// compare 'a' with 'A' to see how similar they are,
// should really use a-accute but we can't portably do that,
//
typedef typename traits::string_type string_type;
typedef typename traits::char_type char_type;
// Suppress incorrect warning for MSVC
(void)pt;
char_type a[2] = {'a', '\0', };
string_type sa(pt->transform(a, a+1));
if(sa == a)
{
*delim = 0;
return sort_C;
}
char_type A[2] = { 'A', '\0', };
string_type sA(pt->transform(A, A+1));
char_type c[2] = { ';', '\0', };
string_type sc(pt->transform(c, c+1));
int pos = 0;
while((pos <= static_cast<int>(sa.size())) && (pos <= static_cast<int>(sA.size())) && (sa[pos] == sA[pos])) ++pos;
--pos;
if(pos < 0)
{
*delim = 0;
return sort_unknown;
}
//
// at this point sa[pos] is either the end of a fixed width field
// or the character that acts as a delimiter:
//
charT maybe_delim = sa[pos];
if((pos != 0) && (count_chars(sa, maybe_delim) == count_chars(sA, maybe_delim)) && (count_chars(sa, maybe_delim) == count_chars(sc, maybe_delim)))
{
*delim = maybe_delim;
return sort_delim;
}
//
// OK doen't look like a delimiter, try for fixed width field:
//
if((sa.size() == sA.size()) && (sa.size() == sc.size()))
{
// note assumes that the fixed width field is less than
// (numeric_limits<charT>::max)(), should be true for all types
// I can't imagine 127 character fields...
*delim = static_cast<charT>(++pos);
return sort_fixed;
}
//
// don't know what it is:
//
*delim = 0;
return sort_unknown;
}
} // namespace BOOST_REGEX_DETAIL_NS
} // namespace boost
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regbase.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares class regbase.
*/
#ifndef BOOST_REGEX_V5_REGBASE_HPP
#define BOOST_REGEX_V5_REGBASE_HPP
namespace boost{
//
// class regbase
// handles error codes and flags
//
class regbase
{
public:
enum flag_type_
{
//
// Divide the flags up into logical groups:
// bits 0-7 indicate main synatx type.
// bits 8-15 indicate syntax subtype.
// bits 16-31 indicate options that are common to all
// regex syntaxes.
// In all cases the default is 0.
//
// Main synatx group:
//
perl_syntax_group = 0, // default
basic_syntax_group = 1, // POSIX basic
literal = 2, // all characters are literals
main_option_type = literal | basic_syntax_group | perl_syntax_group, // everything!
//
// options specific to perl group:
//
no_bk_refs = 1 << 8, // \d not allowed
no_perl_ex = 1 << 9, // disable perl extensions
no_mod_m = 1 << 10, // disable Perl m modifier
mod_x = 1 << 11, // Perl x modifier
mod_s = 1 << 12, // force s modifier on (overrides match_not_dot_newline)
no_mod_s = 1 << 13, // force s modifier off (overrides match_not_dot_newline)
//
// options specific to basic group:
//
no_char_classes = 1 << 8, // [[:CLASS:]] not allowed
no_intervals = 1 << 9, // {x,y} not allowed
bk_plus_qm = 1 << 10, // uses \+ and \?
bk_vbar = 1 << 11, // use \| for alternatives
emacs_ex = 1 << 12, // enables emacs extensions
//
// options common to all groups:
//
no_escape_in_lists = 1 << 16, // '\' not special inside [...]
newline_alt = 1 << 17, // \n is the same as |
no_except = 1 << 18, // no exception on error
failbit = 1 << 19, // error flag
icase = 1 << 20, // characters are matched regardless of case
nocollate = 0, // don't use locale specific collation (deprecated)
collate = 1 << 21, // use locale specific collation
nosubs = 1 << 22, // don't mark sub-expressions
save_subexpression_location = 1 << 23, // save subexpression locations
no_empty_expressions = 1 << 24, // no empty expressions allowed
optimize = 0, // not really supported
basic = basic_syntax_group | collate | no_escape_in_lists,
extended = no_bk_refs | collate | no_perl_ex | no_escape_in_lists,
normal = 0,
emacs = basic_syntax_group | collate | emacs_ex | bk_vbar,
awk = no_bk_refs | collate | no_perl_ex,
grep = basic | newline_alt,
egrep = extended | newline_alt,
sed = basic,
perl = normal,
ECMAScript = normal,
JavaScript = normal,
JScript = normal
};
typedef unsigned int flag_type;
enum restart_info
{
restart_any = 0,
restart_word = 1,
restart_line = 2,
restart_buf = 3,
restart_continue = 4,
restart_lit = 5,
restart_fixed_lit = 6,
restart_count = 7
};
};
//
// provide std lib proposal compatible constants:
//
namespace regex_constants{
enum flag_type_
{
no_except = ::boost::regbase::no_except,
failbit = ::boost::regbase::failbit,
literal = ::boost::regbase::literal,
icase = ::boost::regbase::icase,
nocollate = ::boost::regbase::nocollate,
collate = ::boost::regbase::collate,
nosubs = ::boost::regbase::nosubs,
optimize = ::boost::regbase::optimize,
bk_plus_qm = ::boost::regbase::bk_plus_qm,
bk_vbar = ::boost::regbase::bk_vbar,
no_intervals = ::boost::regbase::no_intervals,
no_char_classes = ::boost::regbase::no_char_classes,
no_escape_in_lists = ::boost::regbase::no_escape_in_lists,
no_mod_m = ::boost::regbase::no_mod_m,
mod_x = ::boost::regbase::mod_x,
mod_s = ::boost::regbase::mod_s,
no_mod_s = ::boost::regbase::no_mod_s,
save_subexpression_location = ::boost::regbase::save_subexpression_location,
no_empty_expressions = ::boost::regbase::no_empty_expressions,
basic = ::boost::regbase::basic,
extended = ::boost::regbase::extended,
normal = ::boost::regbase::normal,
emacs = ::boost::regbase::emacs,
awk = ::boost::regbase::awk,
grep = ::boost::regbase::grep,
egrep = ::boost::regbase::egrep,
sed = basic,
perl = normal,
ECMAScript = normal,
JavaScript = normal,
JScript = normal
};
typedef ::boost::regbase::flag_type syntax_option_type;
} // namespace regex_constants
} // namespace boost
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares boost::basic_regex<> and associated
* functions and classes. This header is the main
* entry point for the template regex code.
*/
#ifndef BOOST_RE_REGEX_HPP_INCLUDED
#define BOOST_RE_REGEX_HPP_INCLUDED
#ifdef __cplusplus
// what follows is all C++ don't include in C builds!!
#include <boost/regex/config.hpp>
#include <boost/regex/v5/regex_workaround.hpp>
#include <boost/regex_fwd.hpp>
#include <boost/regex/regex_traits.hpp>
#include <boost/regex/v5/error_type.hpp>
#include <boost/regex/v5/match_flags.hpp>
#include <boost/regex/v5/regex_raw_buffer.hpp>
#include <boost/regex/pattern_except.hpp>
#include <boost/regex/v5/char_regex_traits.hpp>
#include <boost/regex/v5/states.hpp>
#include <boost/regex/v5/regbase.hpp>
#include <boost/regex/v5/basic_regex.hpp>
#include <boost/regex/v5/basic_regex_creator.hpp>
#include <boost/regex/v5/basic_regex_parser.hpp>
#include <boost/regex/v5/sub_match.hpp>
#include <boost/regex/v5/regex_format.hpp>
#include <boost/regex/v5/match_results.hpp>
#include <boost/regex/v5/perl_matcher.hpp>
namespace boost{
#ifdef BOOST_REGEX_NO_FWD
typedef basic_regex<char, regex_traits<char> > regex;
#ifndef BOOST_NO_WREGEX
typedef basic_regex<wchar_t, regex_traits<wchar_t> > wregex;
#endif
#endif
typedef match_results<const char*> cmatch;
typedef match_results<std::string::const_iterator> smatch;
#ifndef BOOST_NO_WREGEX
typedef match_results<const wchar_t*> wcmatch;
typedef match_results<std::wstring::const_iterator> wsmatch;
#endif
} // namespace boost
#include <boost/regex/v5/regex_match.hpp>
#include <boost/regex/v5/regex_search.hpp>
#include <boost/regex/v5/regex_iterator.hpp>
#include <boost/regex/v5/regex_token_iterator.hpp>
#include <boost/regex/v5/regex_grep.hpp>
#include <boost/regex/v5/regex_replace.hpp>
#include <boost/regex/v5/regex_merge.hpp>
#include <boost/regex/v5/regex_split.hpp>
#endif // __cplusplus
#endif // include

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_fwd.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Forward declares boost::basic_regex<> and
* associated typedefs.
*/
#ifndef BOOST_REGEX_FWD_HPP_INCLUDED
#define BOOST_REGEX_FWD_HPP_INCLUDED
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
//
// define BOOST_REGEX_NO_FWD if this
// header doesn't work!
//
#ifdef BOOST_REGEX_NO_FWD
# ifndef BOOST_RE_REGEX_HPP
# include <boost/regex.hpp>
# endif
#else
namespace boost{
template <class charT>
class cpp_regex_traits;
template <class charT>
struct c_regex_traits;
template <class charT>
class w32_regex_traits;
#ifdef BOOST_REGEX_USE_WIN32_LOCALE
template <class charT, class implementationT = w32_regex_traits<charT> >
struct regex_traits;
#elif defined(BOOST_REGEX_USE_CPP_LOCALE)
template <class charT, class implementationT = cpp_regex_traits<charT> >
struct regex_traits;
#else
template <class charT, class implementationT = c_regex_traits<charT> >
struct regex_traits;
#endif
template <class charT, class traits = regex_traits<charT> >
class basic_regex;
typedef basic_regex<char, regex_traits<char> > regex;
#ifndef BOOST_NO_WREGEX
typedef basic_regex<wchar_t, regex_traits<wchar_t> > wregex;
#endif
} // namespace boost
#endif // BOOST_REGEX_NO_FWD
#endif

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_grep.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides regex_grep implementation.
*/
#ifndef BOOST_REGEX_V5_REGEX_GREP_HPP
#define BOOST_REGEX_V5_REGEX_GREP_HPP
namespace boost{
//
// regex_grep:
// find all non-overlapping matches within the sequence first last:
//
template <class Predicate, class BidiIterator, class charT, class traits>
inline unsigned int regex_grep(Predicate foo,
BidiIterator first,
BidiIterator last,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
if(e.flags() & regex_constants::failbit)
return false;
typedef typename match_results<BidiIterator>::allocator_type match_allocator_type;
match_results<BidiIterator> m;
BOOST_REGEX_DETAIL_NS::perl_matcher<BidiIterator, match_allocator_type, traits> matcher(first, last, m, e, flags, first);
unsigned int count = 0;
while(matcher.find())
{
++count;
if(0 == foo(m))
return count; // caller doesn't want to go on
if(m[0].second == last)
return count; // we've reached the end, don't try and find an extra null match.
if(m.length() == 0)
{
if(m[0].second == last)
return count;
// we found a NULL-match, now try to find
// a non-NULL one at the same position:
match_results<BidiIterator, match_allocator_type> m2(m);
matcher.setf(match_not_null | match_continuous);
if(matcher.find())
{
++count;
if(0 == foo(m))
return count;
}
else
{
// reset match back to where it was:
m = m2;
}
matcher.unsetf((match_not_null | match_continuous) & ~flags);
}
}
return count;
}
//
// regex_grep convenience interfaces:
//
template <class Predicate, class charT, class traits>
inline unsigned int regex_grep(Predicate foo, const charT* str,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_grep(foo, str, str + traits::length(str), e, flags);
}
template <class Predicate, class ST, class SA, class charT, class traits>
inline unsigned int regex_grep(Predicate foo, const std::basic_string<charT, ST, SA>& s,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_grep(foo, s.begin(), s.end(), e, flags);
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_GREP_HPP

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/*
*
* Copyright (c) 2003
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_iterator.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides regex_iterator implementation.
*/
#ifndef BOOST_REGEX_V5_REGEX_ITERATOR_HPP
#define BOOST_REGEX_V5_REGEX_ITERATOR_HPP
#include <memory>
namespace boost{
template <class BidirectionalIterator,
class charT,
class traits>
class regex_iterator_implementation
{
typedef basic_regex<charT, traits> regex_type;
match_results<BidirectionalIterator> what; // current match
BidirectionalIterator base; // start of sequence
BidirectionalIterator end; // end of sequence
const regex_type re; // the expression
match_flag_type flags; // flags for matching
public:
regex_iterator_implementation(const regex_type* p, BidirectionalIterator last, match_flag_type f)
: base(), end(last), re(*p), flags(f){}
regex_iterator_implementation(const regex_iterator_implementation& other)
:what(other.what), base(other.base), end(other.end), re(other.re), flags(other.flags){}
bool init(BidirectionalIterator first)
{
base = first;
return regex_search(first, end, what, re, flags);
}
bool compare(const regex_iterator_implementation& that)
{
if(this == &that) return true;
return (&re.get_data() == &that.re.get_data()) && (end == that.end) && (flags == that.flags) && (what[0].first == that.what[0].first) && (what[0].second == that.what[0].second);
}
const match_results<BidirectionalIterator>& get()
{ return what; }
bool next()
{
//if(what.prefix().first != what[0].second)
// flags |= match_prev_avail;
BidirectionalIterator next_start = what[0].second;
match_flag_type f(flags);
if(!what.length() || (f & regex_constants::match_posix))
f |= regex_constants::match_not_initial_null;
//if(base != next_start)
// f |= regex_constants::match_not_bob;
bool result = regex_search(next_start, end, what, re, f, base);
if(result)
what.set_base(base);
return result;
}
private:
regex_iterator_implementation& operator=(const regex_iterator_implementation&);
};
template <class BidirectionalIterator,
class charT = typename std::iterator_traits<BidirectionalIterator>::value_type,
class traits = regex_traits<charT> >
class regex_iterator
{
private:
typedef regex_iterator_implementation<BidirectionalIterator, charT, traits> impl;
typedef std::shared_ptr<impl> pimpl;
public:
typedef basic_regex<charT, traits> regex_type;
typedef match_results<BidirectionalIterator> value_type;
typedef typename std::iterator_traits<BidirectionalIterator>::difference_type
difference_type;
typedef const value_type* pointer;
typedef const value_type& reference;
typedef std::forward_iterator_tag iterator_category;
regex_iterator(){}
regex_iterator(BidirectionalIterator a, BidirectionalIterator b,
const regex_type& re,
match_flag_type m = match_default)
: pdata(new impl(&re, b, m))
{
if(!pdata->init(a))
{
pdata.reset();
}
}
regex_iterator(const regex_iterator& that)
: pdata(that.pdata) {}
regex_iterator& operator=(const regex_iterator& that)
{
pdata = that.pdata;
return *this;
}
bool operator==(const regex_iterator& that)const
{
if((pdata.get() == 0) || (that.pdata.get() == 0))
return pdata.get() == that.pdata.get();
return pdata->compare(*(that.pdata.get()));
}
bool operator!=(const regex_iterator& that)const
{ return !(*this == that); }
const value_type& operator*()const
{ return pdata->get(); }
const value_type* operator->()const
{ return &(pdata->get()); }
regex_iterator& operator++()
{
cow();
if(0 == pdata->next())
{
pdata.reset();
}
return *this;
}
regex_iterator operator++(int)
{
regex_iterator result(*this);
++(*this);
return result;
}
private:
pimpl pdata;
void cow()
{
// copy-on-write
if(pdata.get() && (pdata.use_count() > 1))
{
pdata.reset(new impl(*(pdata.get())));
}
}
};
typedef regex_iterator<const char*> cregex_iterator;
typedef regex_iterator<std::string::const_iterator> sregex_iterator;
#ifndef BOOST_NO_WREGEX
typedef regex_iterator<const wchar_t*> wcregex_iterator;
typedef regex_iterator<std::wstring::const_iterator> wsregex_iterator;
#endif
// make_regex_iterator:
template <class charT, class traits>
inline regex_iterator<const charT*, charT, traits> make_regex_iterator(const charT* p, const basic_regex<charT, traits>& e, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_iterator<const charT*, charT, traits>(p, p+traits::length(p), e, m);
}
template <class charT, class traits, class ST, class SA>
inline regex_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits> make_regex_iterator(const std::basic_string<charT, ST, SA>& p, const basic_regex<charT, traits>& e, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits>(p.begin(), p.end(), e, m);
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_ITERATOR_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_match.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Regular expression matching algorithms.
* Note this is an internal header file included
* by regex.hpp, do not include on its own.
*/
#ifndef BOOST_REGEX_MATCH_HPP
#define BOOST_REGEX_MATCH_HPP
namespace boost{
//
// proc regex_match
// returns true if the specified regular expression matches
// the whole of the input. Fills in what matched in m.
//
template <class BidiIterator, class Allocator, class charT, class traits>
bool regex_match(BidiIterator first, BidiIterator last,
match_results<BidiIterator, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
BOOST_REGEX_DETAIL_NS::perl_matcher<BidiIterator, Allocator, traits> matcher(first, last, m, e, flags, first);
return matcher.match();
}
template <class iterator, class charT, class traits>
bool regex_match(iterator first, iterator last,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
match_results<iterator> m;
return regex_match(first, last, m, e, flags | regex_constants::match_any);
}
//
// query_match convenience interfaces:
//
template <class charT, class Allocator, class traits>
inline bool regex_match(const charT* str,
match_results<const charT*, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_match(str, str + traits::length(str), m, e, flags);
}
template <class ST, class SA, class Allocator, class charT, class traits>
inline bool regex_match(const std::basic_string<charT, ST, SA>& s,
match_results<typename std::basic_string<charT, ST, SA>::const_iterator, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_match(s.begin(), s.end(), m, e, flags);
}
template <class charT, class traits>
inline bool regex_match(const charT* str,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
match_results<const charT*> m;
return regex_match(str, str + traits::length(str), m, e, flags | regex_constants::match_any);
}
template <class ST, class SA, class charT, class traits>
inline bool regex_match(const std::basic_string<charT, ST, SA>& s,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
typedef typename std::basic_string<charT, ST, SA>::const_iterator iterator;
match_results<iterator> m;
return regex_match(s.begin(), s.end(), m, e, flags | regex_constants::match_any);
}
} // namespace boost
#endif // BOOST_REGEX_MATCH_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_format.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides formatting output routines for search and replace
* operations. Note this is an internal header file included
* by regex.hpp, do not include on its own.
*/
#ifndef BOOST_REGEX_V5_REGEX_MERGE_HPP
#define BOOST_REGEX_V5_REGEX_MERGE_HPP
namespace boost{
template <class OutputIterator, class Iterator, class traits, class charT>
inline OutputIterator regex_merge(OutputIterator out,
Iterator first,
Iterator last,
const basic_regex<charT, traits>& e,
const charT* fmt,
match_flag_type flags = match_default)
{
return regex_replace(out, first, last, e, fmt, flags);
}
template <class OutputIterator, class Iterator, class traits, class charT>
inline OutputIterator regex_merge(OutputIterator out,
Iterator first,
Iterator last,
const basic_regex<charT, traits>& e,
const std::basic_string<charT>& fmt,
match_flag_type flags = match_default)
{
return regex_merge(out, first, last, e, fmt.c_str(), flags);
}
template <class traits, class charT>
inline std::basic_string<charT> regex_merge(const std::basic_string<charT>& s,
const basic_regex<charT, traits>& e,
const charT* fmt,
match_flag_type flags = match_default)
{
return regex_replace(s, e, fmt, flags);
}
template <class traits, class charT>
inline std::basic_string<charT> regex_merge(const std::basic_string<charT>& s,
const basic_regex<charT, traits>& e,
const std::basic_string<charT>& fmt,
match_flag_type flags = match_default)
{
return regex_replace(s, e, fmt, flags);
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_MERGE_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_raw_buffer.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Raw character buffer for regex code.
* Note this is an internal header file included
* by regex.hpp, do not include on its own.
*/
#ifndef BOOST_REGEX_RAW_BUFFER_HPP
#define BOOST_REGEX_RAW_BUFFER_HPP
#ifndef BOOST_REGEX_CONFIG_HPP
#include <boost/regex/config.hpp>
#endif
#include <algorithm>
#include <cstddef>
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
struct empty_padding{};
union padding
{
void* p;
unsigned int i;
};
template <int N>
struct padding3
{
enum{
padding_size = 8,
padding_mask = 7
};
};
template<>
struct padding3<2>
{
enum{
padding_size = 2,
padding_mask = 1
};
};
template<>
struct padding3<4>
{
enum{
padding_size = 4,
padding_mask = 3
};
};
template<>
struct padding3<8>
{
enum{
padding_size = 8,
padding_mask = 7
};
};
template<>
struct padding3<16>
{
enum{
padding_size = 16,
padding_mask = 15
};
};
enum{
padding_size = padding3<sizeof(padding)>::padding_size,
padding_mask = padding3<sizeof(padding)>::padding_mask
};
//
// class raw_storage
// basically this is a simplified vector<unsigned char>
// this is used by basic_regex for expression storage
//
class raw_storage
{
public:
typedef std::size_t size_type;
typedef unsigned char* pointer;
private:
pointer last, start, end;
public:
raw_storage();
raw_storage(size_type n);
~raw_storage()
{
::operator delete(start);
}
void resize(size_type n)
{
size_type newsize = start ? last - start : 1024;
while (newsize < n)
newsize *= 2;
size_type datasize = end - start;
// extend newsize to WORD/DWORD boundary:
newsize = (newsize + padding_mask) & ~(padding_mask);
// allocate and copy data:
pointer ptr = static_cast<pointer>(::operator new(newsize));
BOOST_REGEX_NOEH_ASSERT(ptr)
if (start)
std::memcpy(ptr, start, datasize);
// get rid of old buffer:
::operator delete(start);
// and set up pointers:
start = ptr;
end = ptr + datasize;
last = ptr + newsize;
}
void* extend(size_type n)
{
if(size_type(last - end) < n)
resize(n + (end - start));
pointer result = end;
end += n;
return result;
}
void* insert(size_type pos, size_type n)
{
BOOST_REGEX_ASSERT(pos <= size_type(end - start));
if (size_type(last - end) < n)
resize(n + (end - start));
void* result = start + pos;
std::memmove(start + pos + n, start + pos, (end - start) - pos);
end += n;
return result;
}
size_type size()
{
return size_type(end - start);
}
size_type capacity()
{
return size_type(last - start);
}
void* data()const
{
return start;
}
size_type index(void* ptr)
{
return size_type(static_cast<pointer>(ptr) - static_cast<pointer>(data()));
}
void clear()
{
end = start;
}
void align()
{
// move end up to a boundary:
end = start + (((end - start) + padding_mask) & ~padding_mask);
}
void swap(raw_storage& that)
{
std::swap(start, that.start);
std::swap(end, that.end);
std::swap(last, that.last);
}
};
inline raw_storage::raw_storage()
{
last = start = end = 0;
}
inline raw_storage::raw_storage(size_type n)
{
start = end = static_cast<pointer>(::operator new(n));
BOOST_REGEX_NOEH_ASSERT(start)
last = start + n;
}
} // namespace BOOST_REGEX_DETAIL_NS
} // namespace boost
#endif

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/*
*
* Copyright (c) 1998-2009
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_format.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides formatting output routines for search and replace
* operations. Note this is an internal header file included
* by regex.hpp, do not include on its own.
*/
#ifndef BOOST_REGEX_V5_REGEX_REPLACE_HPP
#define BOOST_REGEX_V5_REGEX_REPLACE_HPP
namespace boost{
template <class OutputIterator, class BidirectionalIterator, class traits, class charT, class Formatter>
OutputIterator regex_replace(OutputIterator out,
BidirectionalIterator first,
BidirectionalIterator last,
const basic_regex<charT, traits>& e,
Formatter fmt,
match_flag_type flags = match_default)
{
regex_iterator<BidirectionalIterator, charT, traits> i(first, last, e, flags);
regex_iterator<BidirectionalIterator, charT, traits> j;
if(i == j)
{
if(!(flags & regex_constants::format_no_copy))
out = BOOST_REGEX_DETAIL_NS::copy(first, last, out);
}
else
{
BidirectionalIterator last_m(first);
while(i != j)
{
if(!(flags & regex_constants::format_no_copy))
out = BOOST_REGEX_DETAIL_NS::copy(i->prefix().first, i->prefix().second, out);
out = i->format(out, fmt, flags, e);
last_m = (*i)[0].second;
if(flags & regex_constants::format_first_only)
break;
++i;
}
if(!(flags & regex_constants::format_no_copy))
out = BOOST_REGEX_DETAIL_NS::copy(last_m, last, out);
}
return out;
}
template <class traits, class charT, class Formatter>
std::basic_string<charT> regex_replace(const std::basic_string<charT>& s,
const basic_regex<charT, traits>& e,
Formatter fmt,
match_flag_type flags = match_default)
{
std::basic_string<charT> result;
BOOST_REGEX_DETAIL_NS::string_out_iterator<std::basic_string<charT> > i(result);
regex_replace(i, s.begin(), s.end(), e, fmt, flags);
return result;
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_REPLACE_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_search.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides regex_search implementation.
*/
#ifndef BOOST_REGEX_V5_REGEX_SEARCH_HPP
#define BOOST_REGEX_V5_REGEX_SEARCH_HPP
namespace boost{
template <class BidiIterator, class Allocator, class charT, class traits>
bool regex_search(BidiIterator first, BidiIterator last,
match_results<BidiIterator, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_search(first, last, m, e, flags, first);
}
template <class BidiIterator, class Allocator, class charT, class traits>
bool regex_search(BidiIterator first, BidiIterator last,
match_results<BidiIterator, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags,
BidiIterator base)
{
if(e.flags() & regex_constants::failbit)
return false;
BOOST_REGEX_DETAIL_NS::perl_matcher<BidiIterator, Allocator, traits> matcher(first, last, m, e, flags, base);
return matcher.find();
}
//
// regex_search convenience interfaces:
//
template <class charT, class Allocator, class traits>
inline bool regex_search(const charT* str,
match_results<const charT*, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_search(str, str + traits::length(str), m, e, flags);
}
template <class ST, class SA, class Allocator, class charT, class traits>
inline bool regex_search(const std::basic_string<charT, ST, SA>& s,
match_results<typename std::basic_string<charT, ST, SA>::const_iterator, Allocator>& m,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_search(s.begin(), s.end(), m, e, flags);
}
template <class BidiIterator, class charT, class traits>
bool regex_search(BidiIterator first, BidiIterator last,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
if(e.flags() & regex_constants::failbit)
return false;
match_results<BidiIterator> m;
typedef typename match_results<BidiIterator>::allocator_type match_alloc_type;
BOOST_REGEX_DETAIL_NS::perl_matcher<BidiIterator, match_alloc_type, traits> matcher(first, last, m, e, flags | regex_constants::match_any, first);
return matcher.find();
}
template <class charT, class traits>
inline bool regex_search(const charT* str,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_search(str, str + traits::length(str), e, flags);
}
template <class ST, class SA, class charT, class traits>
inline bool regex_search(const std::basic_string<charT, ST, SA>& s,
const basic_regex<charT, traits>& e,
match_flag_type flags = match_default)
{
return regex_search(s.begin(), s.end(), e, flags);
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_SEARCH_HPP

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_split.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Implements regex_split and associated functions.
* Note this is an internal header file included
* by regex.hpp, do not include on its own.
*/
#ifndef BOOST_REGEX_SPLIT_HPP
#define BOOST_REGEX_SPLIT_HPP
namespace boost{
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
#if BOOST_REGEX_MSVC < 1910
#pragma warning(disable:4800)
#endif
#endif
namespace BOOST_REGEX_DETAIL_NS{
template <class charT>
const basic_regex<charT>& get_default_expression(charT)
{
static const charT expression_text[4] = { '\\', 's', '+', '\00', };
static const basic_regex<charT> e(expression_text);
return e;
}
template <class OutputIterator, class charT, class Traits1, class Alloc1>
class split_pred
{
typedef std::basic_string<charT, Traits1, Alloc1> string_type;
typedef typename string_type::const_iterator iterator_type;
iterator_type* p_last;
OutputIterator* p_out;
std::size_t* p_max;
std::size_t initial_max;
public:
split_pred(iterator_type* a, OutputIterator* b, std::size_t* c)
: p_last(a), p_out(b), p_max(c), initial_max(*c) {}
bool operator()(const match_results<iterator_type>& what);
};
template <class OutputIterator, class charT, class Traits1, class Alloc1>
bool split_pred<OutputIterator, charT, Traits1, Alloc1>::operator()
(const match_results<iterator_type>& what)
{
*p_last = what[0].second;
if(what.size() > 1)
{
// output sub-expressions only:
for(unsigned i = 1; i < what.size(); ++i)
{
*(*p_out) = what.str(i);
++(*p_out);
if(0 == --*p_max) return false;
}
return *p_max != 0;
}
else
{
// output $` only if it's not-null or not at the start of the input:
const sub_match<iterator_type>& sub = what[-1];
if((sub.first != sub.second) || (*p_max != initial_max))
{
*(*p_out) = sub.str();
++(*p_out);
return --*p_max;
}
}
//
// initial null, do nothing:
return true;
}
} // namespace BOOST_REGEX_DETAIL_NS
template <class OutputIterator, class charT, class Traits1, class Alloc1, class Traits2>
std::size_t regex_split(OutputIterator out,
std::basic_string<charT, Traits1, Alloc1>& s,
const basic_regex<charT, Traits2>& e,
match_flag_type flags,
std::size_t max_split)
{
typedef typename std::basic_string<charT, Traits1, Alloc1>::const_iterator ci_t;
//typedef typename match_results<ci_t>::allocator_type match_allocator;
ci_t last = s.begin();
std::size_t init_size = max_split;
BOOST_REGEX_DETAIL_NS::split_pred<OutputIterator, charT, Traits1, Alloc1> pred(&last, &out, &max_split);
ci_t i, j;
i = s.begin();
j = s.end();
regex_grep(pred, i, j, e, flags);
//
// if there is still input left, do a final push as long as max_split
// is not exhausted, and we're not splitting sub-expressions rather
// than whitespace:
if(max_split && (last != s.end()) && (e.mark_count() == 0))
{
*out = std::basic_string<charT, Traits1, Alloc1>((ci_t)last, (ci_t)s.end());
++out;
last = s.end();
--max_split;
}
//
// delete from the string everything that has been processed so far:
s.erase(0, last - s.begin());
//
// return the number of new records pushed:
return init_size - max_split;
}
template <class OutputIterator, class charT, class Traits1, class Alloc1, class Traits2>
inline std::size_t regex_split(OutputIterator out,
std::basic_string<charT, Traits1, Alloc1>& s,
const basic_regex<charT, Traits2>& e,
match_flag_type flags = match_default)
{
return regex_split(out, s, e, flags, UINT_MAX);
}
template <class OutputIterator, class charT, class Traits1, class Alloc1>
inline std::size_t regex_split(OutputIterator out,
std::basic_string<charT, Traits1, Alloc1>& s)
{
return regex_split(out, s, BOOST_REGEX_DETAIL_NS::get_default_expression(charT(0)), match_default, UINT_MAX);
}
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
} // namespace boost
#endif

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/*
*
* Copyright (c) 2003
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_token_iterator.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Provides regex_token_iterator implementation.
*/
#ifndef BOOST_REGEX_V5_REGEX_TOKEN_ITERATOR_HPP
#define BOOST_REGEX_V5_REGEX_TOKEN_ITERATOR_HPP
#include <memory>
namespace boost{
template <class BidirectionalIterator,
class charT,
class traits>
class regex_token_iterator_implementation
{
typedef basic_regex<charT, traits> regex_type;
typedef sub_match<BidirectionalIterator> value_type;
match_results<BidirectionalIterator> what; // current match
BidirectionalIterator base; // start of search area
BidirectionalIterator end; // end of search area
const regex_type re; // the expression
match_flag_type flags; // match flags
value_type result; // the current string result
int N; // the current sub-expression being enumerated
std::vector<int> subs; // the sub-expressions to enumerate
public:
regex_token_iterator_implementation(const regex_type* p, BidirectionalIterator last, int sub, match_flag_type f)
: end(last), re(*p), flags(f), N(0){ subs.push_back(sub); }
regex_token_iterator_implementation(const regex_type* p, BidirectionalIterator last, const std::vector<int>& v, match_flag_type f)
: end(last), re(*p), flags(f), N(0), subs(v){}
template <std::size_t CN>
regex_token_iterator_implementation(const regex_type* p, BidirectionalIterator last, const int (&submatches)[CN], match_flag_type f)
: end(last), re(*p), flags(f), N(0)
{
for(std::size_t i = 0; i < CN; ++i)
{
subs.push_back(submatches[i]);
}
}
regex_token_iterator_implementation(const regex_token_iterator_implementation& other) = default;
bool init(BidirectionalIterator first)
{
N = 0;
base = first;
if(regex_search(first, end, what, re, flags, base) == true)
{
N = 0;
result = ((subs[N] == -1) ? what.prefix() : what[(int)subs[N]]);
return true;
}
else if((subs[N] == -1) && (first != end))
{
result.first = first;
result.second = end;
result.matched = (first != end);
N = -1;
return true;
}
return false;
}
bool compare(const regex_token_iterator_implementation& that)
{
if(this == &that) return true;
return (&re.get_data() == &that.re.get_data())
&& (end == that.end)
&& (flags == that.flags)
&& (N == that.N)
&& (what[0].first == that.what[0].first)
&& (what[0].second == that.what[0].second);
}
const value_type& get()
{ return result; }
bool next()
{
if(N == -1)
return false;
if(N+1 < (int)subs.size())
{
++N;
result =((subs[N] == -1) ? what.prefix() : what[subs[N]]);
return true;
}
//if(what.prefix().first != what[0].second)
// flags |= /*match_prev_avail |*/ regex_constants::match_not_bob;
BidirectionalIterator last_end(what[0].second);
if(regex_search(last_end, end, what, re, ((what[0].first == what[0].second) ? flags | regex_constants::match_not_initial_null : flags), base))
{
N =0;
result =((subs[N] == -1) ? what.prefix() : what[subs[N]]);
return true;
}
else if((last_end != end) && (subs[0] == -1))
{
N =-1;
result.first = last_end;
result.second = end;
result.matched = (last_end != end);
return true;
}
return false;
}
private:
regex_token_iterator_implementation& operator=(const regex_token_iterator_implementation&);
};
template <class BidirectionalIterator,
class charT = typename std::iterator_traits<BidirectionalIterator>::value_type,
class traits = regex_traits<charT> >
class regex_token_iterator
{
private:
typedef regex_token_iterator_implementation<BidirectionalIterator, charT, traits> impl;
typedef std::shared_ptr<impl> pimpl;
public:
typedef basic_regex<charT, traits> regex_type;
typedef sub_match<BidirectionalIterator> value_type;
typedef typename std::iterator_traits<BidirectionalIterator>::difference_type
difference_type;
typedef const value_type* pointer;
typedef const value_type& reference;
typedef std::forward_iterator_tag iterator_category;
regex_token_iterator(){}
regex_token_iterator(BidirectionalIterator a, BidirectionalIterator b, const regex_type& re,
int submatch = 0, match_flag_type m = match_default)
: pdata(new impl(&re, b, submatch, m))
{
if(!pdata->init(a))
pdata.reset();
}
regex_token_iterator(BidirectionalIterator a, BidirectionalIterator b, const regex_type& re,
const std::vector<int>& submatches, match_flag_type m = match_default)
: pdata(new impl(&re, b, submatches, m))
{
if(!pdata->init(a))
pdata.reset();
}
template <std::size_t N>
regex_token_iterator(BidirectionalIterator a, BidirectionalIterator b, const regex_type& re,
const int (&submatches)[N], match_flag_type m = match_default)
: pdata(new impl(&re, b, submatches, m))
{
if(!pdata->init(a))
pdata.reset();
}
regex_token_iterator(const regex_token_iterator& that)
: pdata(that.pdata) {}
regex_token_iterator& operator=(const regex_token_iterator& that)
{
pdata = that.pdata;
return *this;
}
bool operator==(const regex_token_iterator& that)const
{
if((pdata.get() == 0) || (that.pdata.get() == 0))
return pdata.get() == that.pdata.get();
return pdata->compare(*(that.pdata.get()));
}
bool operator!=(const regex_token_iterator& that)const
{ return !(*this == that); }
const value_type& operator*()const
{ return pdata->get(); }
const value_type* operator->()const
{ return &(pdata->get()); }
regex_token_iterator& operator++()
{
cow();
if(0 == pdata->next())
{
pdata.reset();
}
return *this;
}
regex_token_iterator operator++(int)
{
regex_token_iterator result(*this);
++(*this);
return result;
}
private:
pimpl pdata;
void cow()
{
// copy-on-write
if(pdata.get() && (pdata.use_count() > 1))
{
pdata.reset(new impl(*(pdata.get())));
}
}
};
typedef regex_token_iterator<const char*> cregex_token_iterator;
typedef regex_token_iterator<std::string::const_iterator> sregex_token_iterator;
#ifndef BOOST_NO_WREGEX
typedef regex_token_iterator<const wchar_t*> wcregex_token_iterator;
typedef regex_token_iterator<std::wstring::const_iterator> wsregex_token_iterator;
#endif
template <class charT, class traits>
inline regex_token_iterator<const charT*, charT, traits> make_regex_token_iterator(const charT* p, const basic_regex<charT, traits>& e, int submatch = 0, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<const charT*, charT, traits>(p, p+traits::length(p), e, submatch, m);
}
template <class charT, class traits, class ST, class SA>
inline regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits> make_regex_token_iterator(const std::basic_string<charT, ST, SA>& p, const basic_regex<charT, traits>& e, int submatch = 0, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits>(p.begin(), p.end(), e, submatch, m);
}
template <class charT, class traits, std::size_t N>
inline regex_token_iterator<const charT*, charT, traits> make_regex_token_iterator(const charT* p, const basic_regex<charT, traits>& e, const int (&submatch)[N], regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<const charT*, charT, traits>(p, p+traits::length(p), e, submatch, m);
}
template <class charT, class traits, class ST, class SA, std::size_t N>
inline regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits> make_regex_token_iterator(const std::basic_string<charT, ST, SA>& p, const basic_regex<charT, traits>& e, const int (&submatch)[N], regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits>(p.begin(), p.end(), e, submatch, m);
}
template <class charT, class traits>
inline regex_token_iterator<const charT*, charT, traits> make_regex_token_iterator(const charT* p, const basic_regex<charT, traits>& e, const std::vector<int>& submatch, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<const charT*, charT, traits>(p, p+traits::length(p), e, submatch, m);
}
template <class charT, class traits, class ST, class SA>
inline regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits> make_regex_token_iterator(const std::basic_string<charT, ST, SA>& p, const basic_regex<charT, traits>& e, const std::vector<int>& submatch, regex_constants::match_flag_type m = regex_constants::match_default)
{
return regex_token_iterator<typename std::basic_string<charT, ST, SA>::const_iterator, charT, traits>(p.begin(), p.end(), e, submatch, m);
}
} // namespace boost
#endif // BOOST_REGEX_V5_REGEX_TOKEN_ITERATOR_HPP

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/*
*
* Copyright (c) 2003
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_traits.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares regular expression traits classes.
*/
#ifndef BOOST_REGEX_TRAITS_HPP_INCLUDED
#define BOOST_REGEX_TRAITS_HPP_INCLUDED
#include <boost/regex/config.hpp>
#include <boost/regex/v5/regex_workaround.hpp>
#include <boost/regex/v5/syntax_type.hpp>
#include <boost/regex/v5/error_type.hpp>
#include <boost/regex/v5/regex_traits_defaults.hpp>
#include <boost/regex/v5/cpp_regex_traits.hpp>
#include <boost/regex/v5/c_regex_traits.hpp>
#if defined(_WIN32) && !defined(BOOST_REGEX_NO_W32)
# include <boost/regex/v5/w32_regex_traits.hpp>
#endif
#include <boost/regex_fwd.hpp>
namespace boost{
template <class charT, class implementationT >
struct regex_traits : public implementationT
{
regex_traits() : implementationT() {}
};
//
// class regex_traits_wrapper.
// this is what our implementation will actually store;
// it provides default implementations of the "optional"
// interfaces that we support, in addition to the
// required "standard" ones:
//
namespace BOOST_REGEX_DETAIL_NS{
template <class T>
struct has_boost_extensions_tag
{
template <class U>
static double checker(U*, typename U::boost_extensions_tag* = nullptr);
static char checker(...);
static T* get();
static const bool value = sizeof(checker(get())) > 1;
};
template <class BaseT>
struct default_wrapper : public BaseT
{
typedef typename BaseT::char_type char_type;
std::string error_string(::boost::regex_constants::error_type e)const
{
return ::boost::BOOST_REGEX_DETAIL_NS::get_default_error_string(e);
}
::boost::regex_constants::syntax_type syntax_type(char_type c)const
{
return (char_type(c & 0x7f) == c) ? get_default_syntax_type(static_cast<char>(c)) : ::boost::regex_constants::syntax_char;
}
::boost::regex_constants::escape_syntax_type escape_syntax_type(char_type c)const
{
return (char_type(c & 0x7f) == c) ? get_default_escape_syntax_type(static_cast<char>(c)) : ::boost::regex_constants::escape_type_identity;
}
std::intmax_t toi(const char_type*& p1, const char_type* p2, int radix)const
{
return ::boost::BOOST_REGEX_DETAIL_NS::global_toi(p1, p2, radix, *this);
}
char_type translate(char_type c, bool icase)const
{
return (icase ? this->translate_nocase(c) : this->translate(c));
}
char_type translate(char_type c)const
{
return BaseT::translate(c);
}
char_type tolower(char_type c)const
{
return ::boost::BOOST_REGEX_DETAIL_NS::global_lower(c);
}
char_type toupper(char_type c)const
{
return ::boost::BOOST_REGEX_DETAIL_NS::global_upper(c);
}
};
template <class BaseT, bool has_extensions>
struct compute_wrapper_base
{
typedef BaseT type;
};
template <class BaseT>
struct compute_wrapper_base<BaseT, false>
{
typedef default_wrapper<BaseT> type;
};
} // namespace BOOST_REGEX_DETAIL_NS
template <class BaseT>
struct regex_traits_wrapper
: public ::boost::BOOST_REGEX_DETAIL_NS::compute_wrapper_base<
BaseT,
::boost::BOOST_REGEX_DETAIL_NS::has_boost_extensions_tag<BaseT>::value
>::type
{
regex_traits_wrapper(){}
private:
regex_traits_wrapper(const regex_traits_wrapper&);
regex_traits_wrapper& operator=(const regex_traits_wrapper&);
};
} // namespace boost
#endif // include

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/*
*
* Copyright (c) 2004
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_traits_defaults.hpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares API's for access to regex_traits default properties.
*/
#ifndef BOOST_REGEX_TRAITS_DEFAULTS_HPP_INCLUDED
#define BOOST_REGEX_TRAITS_DEFAULTS_HPP_INCLUDED
#include <boost/regex/config.hpp>
#include <boost/regex/v5/syntax_type.hpp>
#include <boost/regex/v5/error_type.hpp>
#include <boost/regex/v5/regex_workaround.hpp>
#include <type_traits>
#include <cstdint>
#include <cctype>
#include <locale>
#include <cwctype>
#include <limits>
namespace boost{ namespace BOOST_REGEX_DETAIL_NS{
//
// helpers to suppress warnings:
//
template <class charT>
inline bool is_extended(charT c)
{
typedef typename std::make_unsigned<charT>::type unsigned_type;
return (sizeof(charT) > 1) && (static_cast<unsigned_type>(c) >= 256u);
}
inline bool is_extended(char)
{ return false; }
inline const char* get_default_syntax(regex_constants::syntax_type n)
{
// if the user hasn't supplied a message catalog, then this supplies
// default "messages" for us to load in the range 1-100.
const char* messages[] = {
"",
"(",
")",
"$",
"^",
".",
"*",
"+",
"?",
"[",
"]",
"|",
"\\",
"#",
"-",
"{",
"}",
"0123456789",
"b",
"B",
"<",
">",
"",
"",
"A`",
"z'",
"\n",
",",
"a",
"f",
"n",
"r",
"t",
"v",
"x",
"c",
":",
"=",
"e",
"",
"",
"",
"",
"",
"",
"",
"",
"E",
"Q",
"X",
"C",
"Z",
"G",
"!",
"p",
"P",
"N",
"gk",
"K",
"R",
};
return ((n >= (sizeof(messages) / sizeof(messages[1]))) ? "" : messages[n]);
}
inline const char* get_default_error_string(regex_constants::error_type n)
{
static const char* const s_default_error_messages[] = {
"Success", /* REG_NOERROR 0 error_ok */
"No match", /* REG_NOMATCH 1 error_no_match */
"Invalid regular expression.", /* REG_BADPAT 2 error_bad_pattern */
"Invalid collation character.", /* REG_ECOLLATE 3 error_collate */
"Invalid character class name, collating name, or character range.", /* REG_ECTYPE 4 error_ctype */
"Invalid or unterminated escape sequence.", /* REG_EESCAPE 5 error_escape */
"Invalid back reference: specified capturing group does not exist.", /* REG_ESUBREG 6 error_backref */
"Unmatched [ or [^ in character class declaration.", /* REG_EBRACK 7 error_brack */
"Unmatched marking parenthesis ( or \\(.", /* REG_EPAREN 8 error_paren */
"Unmatched quantified repeat operator { or \\{.", /* REG_EBRACE 9 error_brace */
"Invalid content of repeat range.", /* REG_BADBR 10 error_badbrace */
"Invalid range end in character class", /* REG_ERANGE 11 error_range */
"Out of memory.", /* REG_ESPACE 12 error_space NOT USED */
"Invalid preceding regular expression prior to repetition operator.", /* REG_BADRPT 13 error_badrepeat */
"Premature end of regular expression", /* REG_EEND 14 error_end NOT USED */
"Regular expression is too large.", /* REG_ESIZE 15 error_size NOT USED */
"Unmatched ) or \\)", /* REG_ERPAREN 16 error_right_paren NOT USED */
"Empty regular expression.", /* REG_EMPTY 17 error_empty */
"The complexity of matching the regular expression exceeded predefined bounds. "
"Try refactoring the regular expression to make each choice made by the state machine unambiguous. "
"This exception is thrown to prevent \"eternal\" matches that take an "
"indefinite period time to locate.", /* REG_ECOMPLEXITY 18 error_complexity */
"Ran out of stack space trying to match the regular expression.", /* REG_ESTACK 19 error_stack */
"Invalid or unterminated Perl (?...) sequence.", /* REG_E_PERL 20 error_perl */
"Unknown error.", /* REG_E_UNKNOWN 21 error_unknown */
};
return (n > ::boost::regex_constants::error_unknown) ? s_default_error_messages[::boost::regex_constants::error_unknown] : s_default_error_messages[n];
}
inline regex_constants::syntax_type get_default_syntax_type(char c)
{
//
// char_syntax determines how the compiler treats a given character
// in a regular expression.
//
static regex_constants::syntax_type char_syntax[] = {
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_newline, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /* */ // 32
regex_constants::syntax_not, /*!*/
regex_constants::syntax_char, /*"*/
regex_constants::syntax_hash, /*#*/
regex_constants::syntax_dollar, /*$*/
regex_constants::syntax_char, /*%*/
regex_constants::syntax_char, /*&*/
regex_constants::escape_type_end_buffer, /*'*/
regex_constants::syntax_open_mark, /*(*/
regex_constants::syntax_close_mark, /*)*/
regex_constants::syntax_star, /***/
regex_constants::syntax_plus, /*+*/
regex_constants::syntax_comma, /*,*/
regex_constants::syntax_dash, /*-*/
regex_constants::syntax_dot, /*.*/
regex_constants::syntax_char, /*/*/
regex_constants::syntax_digit, /*0*/
regex_constants::syntax_digit, /*1*/
regex_constants::syntax_digit, /*2*/
regex_constants::syntax_digit, /*3*/
regex_constants::syntax_digit, /*4*/
regex_constants::syntax_digit, /*5*/
regex_constants::syntax_digit, /*6*/
regex_constants::syntax_digit, /*7*/
regex_constants::syntax_digit, /*8*/
regex_constants::syntax_digit, /*9*/
regex_constants::syntax_colon, /*:*/
regex_constants::syntax_char, /*;*/
regex_constants::escape_type_left_word, /*<*/
regex_constants::syntax_equal, /*=*/
regex_constants::escape_type_right_word, /*>*/
regex_constants::syntax_question, /*?*/
regex_constants::syntax_char, /*@*/
regex_constants::syntax_char, /*A*/
regex_constants::syntax_char, /*B*/
regex_constants::syntax_char, /*C*/
regex_constants::syntax_char, /*D*/
regex_constants::syntax_char, /*E*/
regex_constants::syntax_char, /*F*/
regex_constants::syntax_char, /*G*/
regex_constants::syntax_char, /*H*/
regex_constants::syntax_char, /*I*/
regex_constants::syntax_char, /*J*/
regex_constants::syntax_char, /*K*/
regex_constants::syntax_char, /*L*/
regex_constants::syntax_char, /*M*/
regex_constants::syntax_char, /*N*/
regex_constants::syntax_char, /*O*/
regex_constants::syntax_char, /*P*/
regex_constants::syntax_char, /*Q*/
regex_constants::syntax_char, /*R*/
regex_constants::syntax_char, /*S*/
regex_constants::syntax_char, /*T*/
regex_constants::syntax_char, /*U*/
regex_constants::syntax_char, /*V*/
regex_constants::syntax_char, /*W*/
regex_constants::syntax_char, /*X*/
regex_constants::syntax_char, /*Y*/
regex_constants::syntax_char, /*Z*/
regex_constants::syntax_open_set, /*[*/
regex_constants::syntax_escape, /*\*/
regex_constants::syntax_close_set, /*]*/
regex_constants::syntax_caret, /*^*/
regex_constants::syntax_char, /*_*/
regex_constants::syntax_char, /*`*/
regex_constants::syntax_char, /*a*/
regex_constants::syntax_char, /*b*/
regex_constants::syntax_char, /*c*/
regex_constants::syntax_char, /*d*/
regex_constants::syntax_char, /*e*/
regex_constants::syntax_char, /*f*/
regex_constants::syntax_char, /*g*/
regex_constants::syntax_char, /*h*/
regex_constants::syntax_char, /*i*/
regex_constants::syntax_char, /*j*/
regex_constants::syntax_char, /*k*/
regex_constants::syntax_char, /*l*/
regex_constants::syntax_char, /*m*/
regex_constants::syntax_char, /*n*/
regex_constants::syntax_char, /*o*/
regex_constants::syntax_char, /*p*/
regex_constants::syntax_char, /*q*/
regex_constants::syntax_char, /*r*/
regex_constants::syntax_char, /*s*/
regex_constants::syntax_char, /*t*/
regex_constants::syntax_char, /*u*/
regex_constants::syntax_char, /*v*/
regex_constants::syntax_char, /*w*/
regex_constants::syntax_char, /*x*/
regex_constants::syntax_char, /*y*/
regex_constants::syntax_char, /*z*/
regex_constants::syntax_open_brace, /*{*/
regex_constants::syntax_or, /*|*/
regex_constants::syntax_close_brace, /*}*/
regex_constants::syntax_char, /*~*/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
regex_constants::syntax_char, /**/
};
return char_syntax[(unsigned char)c];
}
inline regex_constants::escape_syntax_type get_default_escape_syntax_type(char c)
{
//
// char_syntax determines how the compiler treats a given character
// in a regular expression.
//
static regex_constants::escape_syntax_type char_syntax[] = {
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /* */ // 32
regex_constants::escape_type_identity, /*!*/
regex_constants::escape_type_identity, /*"*/
regex_constants::escape_type_identity, /*#*/
regex_constants::escape_type_identity, /*$*/
regex_constants::escape_type_identity, /*%*/
regex_constants::escape_type_identity, /*&*/
regex_constants::escape_type_end_buffer, /*'*/
regex_constants::syntax_open_mark, /*(*/
regex_constants::syntax_close_mark, /*)*/
regex_constants::escape_type_identity, /***/
regex_constants::syntax_plus, /*+*/
regex_constants::escape_type_identity, /*,*/
regex_constants::escape_type_identity, /*-*/
regex_constants::escape_type_identity, /*.*/
regex_constants::escape_type_identity, /*/*/
regex_constants::escape_type_decimal, /*0*/
regex_constants::escape_type_backref, /*1*/
regex_constants::escape_type_backref, /*2*/
regex_constants::escape_type_backref, /*3*/
regex_constants::escape_type_backref, /*4*/
regex_constants::escape_type_backref, /*5*/
regex_constants::escape_type_backref, /*6*/
regex_constants::escape_type_backref, /*7*/
regex_constants::escape_type_backref, /*8*/
regex_constants::escape_type_backref, /*9*/
regex_constants::escape_type_identity, /*:*/
regex_constants::escape_type_identity, /*;*/
regex_constants::escape_type_left_word, /*<*/
regex_constants::escape_type_identity, /*=*/
regex_constants::escape_type_right_word, /*>*/
regex_constants::syntax_question, /*?*/
regex_constants::escape_type_identity, /*@*/
regex_constants::escape_type_start_buffer, /*A*/
regex_constants::escape_type_not_word_assert, /*B*/
regex_constants::escape_type_C, /*C*/
regex_constants::escape_type_not_class, /*D*/
regex_constants::escape_type_E, /*E*/
regex_constants::escape_type_not_class, /*F*/
regex_constants::escape_type_G, /*G*/
regex_constants::escape_type_not_class, /*H*/
regex_constants::escape_type_not_class, /*I*/
regex_constants::escape_type_not_class, /*J*/
regex_constants::escape_type_reset_start_mark, /*K*/
regex_constants::escape_type_not_class, /*L*/
regex_constants::escape_type_not_class, /*M*/
regex_constants::escape_type_named_char, /*N*/
regex_constants::escape_type_not_class, /*O*/
regex_constants::escape_type_not_property, /*P*/
regex_constants::escape_type_Q, /*Q*/
regex_constants::escape_type_line_ending, /*R*/
regex_constants::escape_type_not_class, /*S*/
regex_constants::escape_type_not_class, /*T*/
regex_constants::escape_type_not_class, /*U*/
regex_constants::escape_type_not_class, /*V*/
regex_constants::escape_type_not_class, /*W*/
regex_constants::escape_type_X, /*X*/
regex_constants::escape_type_not_class, /*Y*/
regex_constants::escape_type_Z, /*Z*/
regex_constants::escape_type_identity, /*[*/
regex_constants::escape_type_identity, /*\*/
regex_constants::escape_type_identity, /*]*/
regex_constants::escape_type_identity, /*^*/
regex_constants::escape_type_identity, /*_*/
regex_constants::escape_type_start_buffer, /*`*/
regex_constants::escape_type_control_a, /*a*/
regex_constants::escape_type_word_assert, /*b*/
regex_constants::escape_type_ascii_control, /*c*/
regex_constants::escape_type_class, /*d*/
regex_constants::escape_type_e, /*e*/
regex_constants::escape_type_control_f, /*f*/
regex_constants::escape_type_extended_backref, /*g*/
regex_constants::escape_type_class, /*h*/
regex_constants::escape_type_class, /*i*/
regex_constants::escape_type_class, /*j*/
regex_constants::escape_type_extended_backref, /*k*/
regex_constants::escape_type_class, /*l*/
regex_constants::escape_type_class, /*m*/
regex_constants::escape_type_control_n, /*n*/
regex_constants::escape_type_class, /*o*/
regex_constants::escape_type_property, /*p*/
regex_constants::escape_type_class, /*q*/
regex_constants::escape_type_control_r, /*r*/
regex_constants::escape_type_class, /*s*/
regex_constants::escape_type_control_t, /*t*/
regex_constants::escape_type_class, /*u*/
regex_constants::escape_type_control_v, /*v*/
regex_constants::escape_type_class, /*w*/
regex_constants::escape_type_hex, /*x*/
regex_constants::escape_type_class, /*y*/
regex_constants::escape_type_end_buffer, /*z*/
regex_constants::syntax_open_brace, /*{*/
regex_constants::syntax_or, /*|*/
regex_constants::syntax_close_brace, /*}*/
regex_constants::escape_type_identity, /*~*/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
regex_constants::escape_type_identity, /**/
};
return char_syntax[(unsigned char)c];
}
// is charT c a combining character?
inline bool is_combining_implementation(std::uint_least16_t c)
{
const std::uint_least16_t combining_ranges[] = { 0x0300, 0x0361,
0x0483, 0x0486,
0x0903, 0x0903,
0x093E, 0x0940,
0x0949, 0x094C,
0x0982, 0x0983,
0x09BE, 0x09C0,
0x09C7, 0x09CC,
0x09D7, 0x09D7,
0x0A3E, 0x0A40,
0x0A83, 0x0A83,
0x0ABE, 0x0AC0,
0x0AC9, 0x0ACC,
0x0B02, 0x0B03,
0x0B3E, 0x0B3E,
0x0B40, 0x0B40,
0x0B47, 0x0B4C,
0x0B57, 0x0B57,
0x0B83, 0x0B83,
0x0BBE, 0x0BBF,
0x0BC1, 0x0BCC,
0x0BD7, 0x0BD7,
0x0C01, 0x0C03,
0x0C41, 0x0C44,
0x0C82, 0x0C83,
0x0CBE, 0x0CBE,
0x0CC0, 0x0CC4,
0x0CC7, 0x0CCB,
0x0CD5, 0x0CD6,
0x0D02, 0x0D03,
0x0D3E, 0x0D40,
0x0D46, 0x0D4C,
0x0D57, 0x0D57,
0x0F7F, 0x0F7F,
0x20D0, 0x20E1,
0x3099, 0x309A,
0xFE20, 0xFE23,
0xffff, 0xffff, };
const std::uint_least16_t* p = combining_ranges + 1;
while (*p < c) p += 2;
--p;
if ((c >= *p) && (c <= *(p + 1)))
return true;
return false;
}
template <class charT>
inline bool is_combining(charT c)
{
return (c <= static_cast<charT>(0)) ? false : ((c >= static_cast<charT>((std::numeric_limits<uint_least16_t>::max)())) ? false : is_combining_implementation(static_cast<unsigned short>(c)));
}
template <>
inline bool is_combining<char>(char)
{
return false;
}
template <>
inline bool is_combining<signed char>(signed char)
{
return false;
}
template <>
inline bool is_combining<unsigned char>(unsigned char)
{
return false;
}
#ifdef _MSC_VER
template<>
inline bool is_combining<wchar_t>(wchar_t c)
{
return is_combining_implementation(static_cast<unsigned short>(c));
}
#elif !defined(__DECCXX) && !defined(__osf__) && !defined(__OSF__) && defined(WCHAR_MIN) && (WCHAR_MIN == 0) && !defined(BOOST_NO_INTRINSIC_WCHAR_T)
#if defined(WCHAR_MAX) && (WCHAR_MAX <= USHRT_MAX)
template<>
inline bool is_combining<wchar_t>(wchar_t c)
{
return is_combining_implementation(static_cast<unsigned short>(c));
}
#else
template<>
inline bool is_combining<wchar_t>(wchar_t c)
{
return (c >= (std::numeric_limits<uint_least16_t>::max)()) ? false : is_combining_implementation(static_cast<unsigned short>(c));
}
#endif
#endif
//
// is a charT c a line separator?
//
template <class charT>
inline bool is_separator(charT c)
{
return BOOST_REGEX_MAKE_BOOL(
(c == static_cast<charT>('\n'))
|| (c == static_cast<charT>('\r'))
|| (c == static_cast<charT>('\f'))
|| (static_cast<std::uint16_t>(c) == 0x2028u)
|| (static_cast<std::uint16_t>(c) == 0x2029u)
|| (static_cast<std::uint16_t>(c) == 0x85u));
}
template <>
inline bool is_separator<char>(char c)
{
return BOOST_REGEX_MAKE_BOOL((c == '\n') || (c == '\r') || (c == '\f'));
}
//
// get a default collating element:
//
inline std::string lookup_default_collate_name(const std::string& name)
{
//
// these are the POSIX collating names:
//
static const char* def_coll_names[] = {
"NUL", "SOH", "STX", "ETX", "EOT", "ENQ", "ACK", "alert", "backspace", "tab", "newline",
"vertical-tab", "form-feed", "carriage-return", "SO", "SI", "DLE", "DC1", "DC2", "DC3", "DC4", "NAK",
"SYN", "ETB", "CAN", "EM", "SUB", "ESC", "IS4", "IS3", "IS2", "IS1", "space", "exclamation-mark",
"quotation-mark", "number-sign", "dollar-sign", "percent-sign", "ampersand", "apostrophe",
"left-parenthesis", "right-parenthesis", "asterisk", "plus-sign", "comma", "hyphen",
"period", "slash", "zero", "one", "two", "three", "four", "five", "six", "seven", "eight", "nine",
"colon", "semicolon", "less-than-sign", "equals-sign", "greater-than-sign",
"question-mark", "commercial-at", "A", "B", "C", "D", "E", "F", "G", "H", "I", "J", "K", "L", "M", "N", "O", "P",
"Q", "R", "S", "T", "U", "V", "W", "X", "Y", "Z", "left-square-bracket", "backslash",
"right-square-bracket", "circumflex", "underscore", "grave-accent", "a", "b", "c", "d", "e", "f",
"g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "left-curly-bracket",
"vertical-line", "right-curly-bracket", "tilde", "DEL", "",
};
// these multi-character collating elements
// should keep most Western-European locales
// happy - we should really localise these a
// little more - but this will have to do for
// now:
static const char* def_multi_coll[] = {
"ae",
"Ae",
"AE",
"ch",
"Ch",
"CH",
"ll",
"Ll",
"LL",
"ss",
"Ss",
"SS",
"nj",
"Nj",
"NJ",
"dz",
"Dz",
"DZ",
"lj",
"Lj",
"LJ",
"",
};
unsigned int i = 0;
while (*def_coll_names[i])
{
if (def_coll_names[i] == name)
{
return std::string(1, char(i));
}
++i;
}
i = 0;
while (*def_multi_coll[i])
{
if (def_multi_coll[i] == name)
{
return def_multi_coll[i];
}
++i;
}
return std::string();
}
//
// get the state_id of a character classification, the individual
// traits classes then transform that state_id into a bitmask:
//
template <class charT>
struct character_pointer_range
{
const charT* p1;
const charT* p2;
bool operator < (const character_pointer_range& r)const
{
return std::lexicographical_compare(p1, p2, r.p1, r.p2);
}
bool operator == (const character_pointer_range& r)const
{
// Not only do we check that the ranges are of equal size before
// calling std::equal, but there is no other algorithm available:
// not even a non-standard MS one. So forward to unchecked_equal
// in the MS case.
#ifdef __cpp_lib_robust_nonmodifying_seq_ops
return std::equal(p1, p2, r.p1, r.p2);
#elif defined(BOOST_REGEX_MSVC)
if (((p2 - p1) != (r.p2 - r.p1)))
return false;
const charT* with = r.p1;
const charT* pos = p1;
while (pos != p2)
if (*pos++ != *with++) return false;
return true;
#else
return ((p2 - p1) == (r.p2 - r.p1)) && std::equal(p1, p2, r.p1);
#endif
}
};
template <class charT>
int get_default_class_id(const charT* p1, const charT* p2)
{
static const charT data[73] = {
'a', 'l', 'n', 'u', 'm',
'a', 'l', 'p', 'h', 'a',
'b', 'l', 'a', 'n', 'k',
'c', 'n', 't', 'r', 'l',
'd', 'i', 'g', 'i', 't',
'g', 'r', 'a', 'p', 'h',
'l', 'o', 'w', 'e', 'r',
'p', 'r', 'i', 'n', 't',
'p', 'u', 'n', 'c', 't',
's', 'p', 'a', 'c', 'e',
'u', 'n', 'i', 'c', 'o', 'd', 'e',
'u', 'p', 'p', 'e', 'r',
'v',
'w', 'o', 'r', 'd',
'x', 'd', 'i', 'g', 'i', 't',
};
static const character_pointer_range<charT> ranges[21] =
{
{data+0, data+5,}, // alnum
{data+5, data+10,}, // alpha
{data+10, data+15,}, // blank
{data+15, data+20,}, // cntrl
{data+20, data+21,}, // d
{data+20, data+25,}, // digit
{data+25, data+30,}, // graph
{data+29, data+30,}, // h
{data+30, data+31,}, // l
{data+30, data+35,}, // lower
{data+35, data+40,}, // print
{data+40, data+45,}, // punct
{data+45, data+46,}, // s
{data+45, data+50,}, // space
{data+57, data+58,}, // u
{data+50, data+57,}, // unicode
{data+57, data+62,}, // upper
{data+62, data+63,}, // v
{data+63, data+64,}, // w
{data+63, data+67,}, // word
{data+67, data+73,}, // xdigit
};
const character_pointer_range<charT>* ranges_begin = ranges;
const character_pointer_range<charT>* ranges_end = ranges + (sizeof(ranges)/sizeof(ranges[0]));
character_pointer_range<charT> t = { p1, p2, };
const character_pointer_range<charT>* p = std::lower_bound(ranges_begin, ranges_end, t);
if((p != ranges_end) && (t == *p))
return static_cast<int>(p - ranges);
return -1;
}
//
// helper functions:
//
template <class charT>
std::ptrdiff_t global_length(const charT* p)
{
std::ptrdiff_t n = 0;
while(*p)
{
++p;
++n;
}
return n;
}
template<>
inline std::ptrdiff_t global_length<char>(const char* p)
{
return (std::strlen)(p);
}
#ifndef BOOST_NO_WREGEX
template<>
inline std::ptrdiff_t global_length<wchar_t>(const wchar_t* p)
{
return (std::ptrdiff_t)(std::wcslen)(p);
}
#endif
template <class charT>
inline charT global_lower(charT c)
{
return c;
}
template <class charT>
inline charT global_upper(charT c)
{
return c;
}
inline char do_global_lower(char c)
{
return static_cast<char>((std::tolower)((unsigned char)c));
}
inline char do_global_upper(char c)
{
return static_cast<char>((std::toupper)((unsigned char)c));
}
#ifndef BOOST_NO_WREGEX
inline wchar_t do_global_lower(wchar_t c)
{
return (std::towlower)(c);
}
inline wchar_t do_global_upper(wchar_t c)
{
return (std::towupper)(c);
}
#endif
//
// This sucks: declare template specialisations of global_lower/global_upper
// that just forward to the non-template implementation functions. We do
// this because there is one compiler (Compaq Tru64 C++) that doesn't seem
// to differentiate between templates and non-template overloads....
// what's more, the primary template, plus all overloads have to be
// defined in the same translation unit (if one is inline they all must be)
// otherwise the "local template instantiation" compiler option can pick
// the wrong instantiation when linking:
//
template<> inline char global_lower<char>(char c) { return do_global_lower(c); }
template<> inline char global_upper<char>(char c) { return do_global_upper(c); }
#ifndef BOOST_NO_WREGEX
template<> inline wchar_t global_lower<wchar_t>(wchar_t c) { return do_global_lower(c); }
template<> inline wchar_t global_upper<wchar_t>(wchar_t c) { return do_global_upper(c); }
#endif
template <class charT>
int global_value(charT c)
{
static const charT zero = '0';
static const charT nine = '9';
static const charT a = 'a';
static const charT f = 'f';
static const charT A = 'A';
static const charT F = 'F';
if(c > f) return -1;
if(c >= a) return 10 + (c - a);
if(c > F) return -1;
if(c >= A) return 10 + (c - A);
if(c > nine) return -1;
if(c >= zero) return c - zero;
return -1;
}
template <class charT, class traits>
std::intmax_t global_toi(const charT*& p1, const charT* p2, int radix, const traits& t)
{
(void)t; // warning suppression
std::intmax_t limit = (std::numeric_limits<std::intmax_t>::max)() / radix;
std::intmax_t next_value = t.value(*p1, radix);
if((p1 == p2) || (next_value < 0) || (next_value >= radix))
return -1;
std::intmax_t result = 0;
while(p1 != p2)
{
next_value = t.value(*p1, radix);
if((next_value < 0) || (next_value >= radix))
break;
result *= radix;
result += next_value;
++p1;
if (result > limit)
return -1;
}
return result;
}
template <class charT>
inline typename std::enable_if<(sizeof(charT) > 1), const charT*>::type get_escape_R_string()
{
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
# pragma warning(disable:4309 4245)
#endif
static const charT e1[] = { '(', '?', '-', 'x', ':', '(', '?', '>', '\x0D', '\x0A', '?',
'|', '[', '\x0A', '\x0B', '\x0C', static_cast<charT>(0x85), static_cast<charT>(0x2028),
static_cast<charT>(0x2029), ']', ')', ')', '\0' };
static const charT e2[] = { '(', '?', '-', 'x', ':', '(', '?', '>', '\x0D', '\x0A', '?',
'|', '[', '\x0A', '\x0B', '\x0C', static_cast<charT>(0x85), ']', ')', ')', '\0' };
charT c = static_cast<charT>(0x2029u);
bool b = (static_cast<unsigned>(c) == 0x2029u);
return (b ? e1 : e2);
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
}
template <class charT>
inline typename std::enable_if<(sizeof(charT) == 1), const charT*>::type get_escape_R_string()
{
#ifdef BOOST_REGEX_MSVC
# pragma warning(push)
# pragma warning(disable:4309 4245)
#endif
static const charT e2[] = {
static_cast<charT>('('),
static_cast<charT>('?'),
static_cast<charT>('-'),
static_cast<charT>('x'),
static_cast<charT>(':'),
static_cast<charT>('('),
static_cast<charT>('?'),
static_cast<charT>('>'),
static_cast<charT>('\x0D'),
static_cast<charT>('\x0A'),
static_cast<charT>('?'),
static_cast<charT>('|'),
static_cast<charT>('['),
static_cast<charT>('\x0A'),
static_cast<charT>('\x0B'),
static_cast<charT>('\x0C'),
static_cast<charT>('\x85'),
static_cast<charT>(']'),
static_cast<charT>(')'),
static_cast<charT>(')'),
static_cast<charT>('\0')
};
return e2;
#ifdef BOOST_REGEX_MSVC
# pragma warning(pop)
#endif
}
} // BOOST_REGEX_DETAIL_NS
} // boost
#endif

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/*
*
* Copyright (c) 1998-2005
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE regex_workarounds.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares Misc workarounds.
*/
#ifndef BOOST_REGEX_WORKAROUND_HPP
#define BOOST_REGEX_WORKAROUND_HPP
#include <boost/regex/config.hpp>
#include <algorithm>
#include <stdexcept>
#include <cstring>
#ifndef BOOST_REGEX_STANDALONE
#include <boost/detail/workaround.hpp>
#include <boost/throw_exception.hpp>
#endif
#ifdef BOOST_REGEX_NO_BOOL
# define BOOST_REGEX_MAKE_BOOL(x) static_cast<bool>((x) ? true : false)
#else
# define BOOST_REGEX_MAKE_BOOL(x) static_cast<bool>(x)
#endif
/*****************************************************************************
*
* helper functions pointer_construct/pointer_destroy:
*
****************************************************************************/
#ifdef __cplusplus
namespace boost{ namespace BOOST_REGEX_DETAIL_NS{
#ifdef BOOST_REGEX_MSVC
#pragma warning (push)
#pragma warning (disable : 4100)
#endif
template <class T>
inline void pointer_destroy(T* p)
{ p->~T(); (void)p; }
#ifdef BOOST_REGEX_MSVC
#pragma warning (pop)
#endif
template <class T>
inline void pointer_construct(T* p, const T& t)
{ new (p) T(t); }
}} // namespaces
#endif
/*****************************************************************************
*
* helper function copy:
*
****************************************************************************/
#if defined(BOOST_WORKAROUND)
#if BOOST_WORKAROUND(BOOST_REGEX_MSVC, >= 1400) && defined(__STDC_WANT_SECURE_LIB__) && __STDC_WANT_SECURE_LIB__
#define BOOST_REGEX_HAS_STRCPY_S
#endif
#endif
#ifdef __cplusplus
namespace boost{ namespace BOOST_REGEX_DETAIL_NS{
#if defined(BOOST_REGEX_MSVC) && (BOOST_REGEX_MSVC < 1910)
//
// MSVC 10 will either emit warnings or else refuse to compile
// code that makes perfectly legitimate use of std::copy, when
// the OutputIterator type is a user-defined class (apparently all user
// defined iterators are "unsafe"). What's more Microsoft have removed their
// non-standard "unchecked" versions, even though they are still in the MS
// documentation!! Work around this as best we can:
//
template<class InputIterator, class OutputIterator>
inline OutputIterator copy(
InputIterator first,
InputIterator last,
OutputIterator dest
)
{
while (first != last)
*dest++ = *first++;
return dest;
}
#else
using std::copy;
#endif
#if defined(BOOST_REGEX_HAS_STRCPY_S)
// use safe versions of strcpy etc:
using ::strcpy_s;
using ::strcat_s;
#else
inline std::size_t strcpy_s(
char *strDestination,
std::size_t sizeInBytes,
const char *strSource
)
{
std::size_t lenSourceWithNull = std::strlen(strSource) + 1;
if (lenSourceWithNull > sizeInBytes)
return 1;
std::memcpy(strDestination, strSource, lenSourceWithNull);
return 0;
}
inline std::size_t strcat_s(
char *strDestination,
std::size_t sizeInBytes,
const char *strSource
)
{
std::size_t lenSourceWithNull = std::strlen(strSource) + 1;
std::size_t lenDestination = std::strlen(strDestination);
if (lenSourceWithNull + lenDestination > sizeInBytes)
return 1;
std::memcpy(strDestination + lenDestination, strSource, lenSourceWithNull);
return 0;
}
#endif
inline void overflow_error_if_not_zero(std::size_t i)
{
if(i)
{
std::overflow_error e("String buffer too small");
#ifndef BOOST_REGEX_STANDALONE
boost::throw_exception(e);
#else
throw e;
#endif
}
}
}} // namespaces
#endif // __cplusplus
#endif // include guard

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/*
*
* Copyright (c) 1998-2002
* John Maddock
*
* Use, modification and distribution are subject to the
* Boost Software License, Version 1.0. (See accompanying file
* LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt)
*
*/
/*
* LOCATION: see http://www.boost.org for most recent version.
* FILE states.cpp
* VERSION see <boost/version.hpp>
* DESCRIPTION: Declares internal state machine structures.
*/
#ifndef BOOST_REGEX_V5_STATES_HPP
#define BOOST_REGEX_V5_STATES_HPP
namespace boost{
namespace BOOST_REGEX_DETAIL_NS{
/*** mask_type *******************************************************
Whenever we have a choice of two alternatives, we use an array of bytes
to indicate which of the two alternatives it is possible to take for any
given input character. If mask_take is set, then we can take the next
state, and if mask_skip is set then we can take the alternative.
***********************************************************************/
enum mask_type
{
mask_take = 1,
mask_skip = 2,
mask_init = 4,
mask_any = mask_skip | mask_take,
mask_all = mask_any
};
/*** helpers **********************************************************
These helpers let us use function overload resolution to detect whether
we have narrow or wide character strings:
***********************************************************************/
struct _narrow_type{};
struct _wide_type{};
template <class charT> struct is_byte;
template<> struct is_byte<char> { typedef _narrow_type width_type; };
template<> struct is_byte<unsigned char>{ typedef _narrow_type width_type; };
template<> struct is_byte<signed char> { typedef _narrow_type width_type; };
template <class charT> struct is_byte { typedef _wide_type width_type; };
/*** enum syntax_element_type ******************************************
Every record in the state machine falls into one of the following types:
***********************************************************************/
enum syntax_element_type
{
// start of a marked sub-expression, or perl-style (?...) extension
syntax_element_startmark = 0,
// end of a marked sub-expression, or perl-style (?...) extension
syntax_element_endmark = syntax_element_startmark + 1,
// any sequence of literal characters
syntax_element_literal = syntax_element_endmark + 1,
// start of line assertion: ^
syntax_element_start_line = syntax_element_literal + 1,
// end of line assertion $
syntax_element_end_line = syntax_element_start_line + 1,
// match any character: .
syntax_element_wild = syntax_element_end_line + 1,
// end of expression: we have a match when we get here
syntax_element_match = syntax_element_wild + 1,
// perl style word boundary: \b
syntax_element_word_boundary = syntax_element_match + 1,
// perl style within word boundary: \B
syntax_element_within_word = syntax_element_word_boundary + 1,
// start of word assertion: \<
syntax_element_word_start = syntax_element_within_word + 1,
// end of word assertion: \>
syntax_element_word_end = syntax_element_word_start + 1,
// start of buffer assertion: \`
syntax_element_buffer_start = syntax_element_word_end + 1,
// end of buffer assertion: \'
syntax_element_buffer_end = syntax_element_buffer_start + 1,
// backreference to previously matched sub-expression
syntax_element_backref = syntax_element_buffer_end + 1,
// either a wide character set [..] or one with multicharacter collating elements:
syntax_element_long_set = syntax_element_backref + 1,
// narrow character set: [...]
syntax_element_set = syntax_element_long_set + 1,
// jump to a new state in the machine:
syntax_element_jump = syntax_element_set + 1,
// choose between two production states:
syntax_element_alt = syntax_element_jump + 1,
// a repeat
syntax_element_rep = syntax_element_alt + 1,
// match a combining character sequence
syntax_element_combining = syntax_element_rep + 1,
// perl style soft buffer end: \z
syntax_element_soft_buffer_end = syntax_element_combining + 1,
// perl style continuation: \G
syntax_element_restart_continue = syntax_element_soft_buffer_end + 1,
// single character repeats:
syntax_element_dot_rep = syntax_element_restart_continue + 1,
syntax_element_char_rep = syntax_element_dot_rep + 1,
syntax_element_short_set_rep = syntax_element_char_rep + 1,
syntax_element_long_set_rep = syntax_element_short_set_rep + 1,
// a backstep for lookbehind repeats:
syntax_element_backstep = syntax_element_long_set_rep + 1,
// an assertion that a mark was matched:
syntax_element_assert_backref = syntax_element_backstep + 1,
syntax_element_toggle_case = syntax_element_assert_backref + 1,
// a recursive expression:
syntax_element_recurse = syntax_element_toggle_case + 1,
// Verbs:
syntax_element_fail = syntax_element_recurse + 1,
syntax_element_accept = syntax_element_fail + 1,
syntax_element_commit = syntax_element_accept + 1,
syntax_element_then = syntax_element_commit + 1
};
#ifdef BOOST_REGEX_DEBUG
// dwa 09/26/00 - This is needed to suppress warnings about an ambiguous conversion
std::ostream& operator<<(std::ostream&, syntax_element_type);
#endif
struct re_syntax_base;
/*** union offset_type ************************************************
Points to another state in the machine. During machine construction
we use integral offsets, but these are converted to pointers before
execution of the machine.
***********************************************************************/
union offset_type
{
re_syntax_base* p;
std::ptrdiff_t i;
};
/*** struct re_syntax_base ********************************************
Base class for all states in the machine.
***********************************************************************/
struct re_syntax_base
{
syntax_element_type type; // what kind of state this is
offset_type next; // next state in the machine
};
/*** struct re_brace **************************************************
A marked parenthesis.
***********************************************************************/
struct re_brace : public re_syntax_base
{
// The index to match, can be zero (don't mark the sub-expression)
// or negative (for perl style (?...) extensions):
int index;
bool icase;
};
/*** struct re_dot **************************************************
Match anything.
***********************************************************************/
enum
{
dont_care = 1,
force_not_newline = 0,
force_newline = 2,
test_not_newline = 2,
test_newline = 3
};
struct re_dot : public re_syntax_base
{
unsigned char mask;
};
/*** struct re_literal ************************************************
A string of literals, following this structure will be an
array of characters: charT[length]
***********************************************************************/
struct re_literal : public re_syntax_base
{
unsigned int length;
};
/*** struct re_case ************************************************
Indicates whether we are moving to a case insensive block or not
***********************************************************************/
struct re_case : public re_syntax_base
{
bool icase;
};
/*** struct re_set_long ***********************************************
A wide character set of characters, following this structure will be
an array of type charT:
First csingles null-terminated strings
Then 2 * cranges NULL terminated strings
Then cequivalents NULL terminated strings
***********************************************************************/
template <class mask_type>
struct re_set_long : public re_syntax_base
{
unsigned int csingles, cranges, cequivalents;
mask_type cclasses;
mask_type cnclasses;
bool isnot;
bool singleton;
};
/*** struct re_set ****************************************************
A set of narrow-characters, matches any of _map which is none-zero
***********************************************************************/
struct re_set : public re_syntax_base
{
unsigned char _map[1 << CHAR_BIT];
};
/*** struct re_jump ***************************************************
Jump to a new location in the machine (not next).
***********************************************************************/
struct re_jump : public re_syntax_base
{
offset_type alt; // location to jump to
};
/*** struct re_alt ***************************************************
Jump to a new location in the machine (possibly next).
***********************************************************************/
struct re_alt : public re_jump
{
unsigned char _map[1 << CHAR_BIT]; // which characters can take the jump
unsigned int can_be_null; // true if we match a NULL string
};
/*** struct re_repeat *************************************************
Repeat a section of the machine
***********************************************************************/
struct re_repeat : public re_alt
{
std::size_t min, max; // min and max allowable repeats
int state_id; // Unique identifier for this repeat
bool leading; // True if this repeat is at the start of the machine (lets us optimize some searches)
bool greedy; // True if this is a greedy repeat
};
/*** struct re_recurse ************************************************
Recurse to a particular subexpression.
**********************************************************************/
struct re_recurse : public re_jump
{
int state_id; // identifier of first nested repeat within the recursion.
};
/*** struct re_commit *************************************************
Used for the PRUNE, SKIP and COMMIT verbs which basically differ only in what happens
if no match is found and we start searching forward.
**********************************************************************/
enum commit_type
{
commit_prune,
commit_skip,
commit_commit
};
struct re_commit : public re_syntax_base
{
commit_type action;
};
/*** enum re_jump_size_type *******************************************
Provides compiled size of re_jump structure (allowing for trailing alignment).
We provide this so we know how manybytes to insert when constructing the machine
(The value of padding_mask is defined in regex_raw_buffer.hpp).
***********************************************************************/
enum re_jump_size_type
{
re_jump_size = (sizeof(re_jump) + padding_mask) & ~(padding_mask),
re_repeater_size = (sizeof(re_repeat) + padding_mask) & ~(padding_mask),
re_alt_size = (sizeof(re_alt) + padding_mask) & ~(padding_mask)
};
/*** proc re_is_set_member *********************************************
Forward declaration: we'll need this one later...
***********************************************************************/
template<class charT, class traits>
struct regex_data;
template <class iterator, class charT, class traits_type, class char_classT>
iterator re_is_set_member(iterator next,
iterator last,
const re_set_long<char_classT>* set_,
const regex_data<charT, traits_type>& e, bool icase);
} // namespace BOOST_REGEX_DETAIL_NS
} // namespace boost
#endif

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