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• 08e1b197ac Avoid out of bounds access develop Maarten L. Hekkelman 2026-06-03 08:37:33 +02:00
• 20971e1ee9 Fix cif2pdb, somewhat... trunk Maarten L. Hekkelman 2026-05-18 13:44:05 +02:00
• ce6a953eff Fix documentation rules Maarten L. Hekkelman 2026-05-18 12:59:03 +02:00
• 87c20c26ec Fix error message Maarten L. Hekkelman 2026-05-18 12:51:26 +02:00
• 025ad93d06 add more tests don't use get_item_indices version bump v10.0.4 Maarten L. Hekkelman 2026-05-18 12:17:31 +02:00
• e98fe2608a Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-05-18 11:52:34 +02:00
• 0399d99ca6 Fix in find_by_value Maarten L. Hekkelman 2026-05-18 11:52:06 +02:00
• 71b24a678e Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-04-22 11:36:49 +02:00
• dc03cb6a70 Changed handling of numbers witth a leading plus character Maarten L. Hekkelman 2026-04-22 11:17:25 +02:00
• de9b33a918 Changed handling of numbers witth a leading plus character Maarten L. Hekkelman 2026-04-22 11:17:25 +02:00
• 56c75490f2 Fix reconstruction, and reconstruction test files Maarten L. Hekkelman 2026-04-21 11:39:50 +02:00
• 20695404c1 Leave unknown items untouched Maarten L. Hekkelman 2026-04-20 10:49:30 +02:00
• 46ea0ca930 Clear pdbx_nonpoly_scheme before filling it in reconstruction v10.0.3 Maarten L. Hekkelman 2026-04-14 15:49:20 +02:00
• 0da8ba85bf right aligning values in cif v10.0.2 Maarten L. Hekkelman 2026-04-14 11:22:26 +02:00
• 5d3734e2a5 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-04-14 09:35:46 +02:00
• e692ed6c87 Remove runtime lib statements for msvc Maarten L. Hekkelman 2026-04-14 09:35:38 +02:00
• da8e81f871 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-04-14 09:23:51 +02:00
• 0aef601bfd Remove spherical_dots, fix for finding fast_float, I hope Maarten L. Hekkelman 2026-04-14 09:23:39 +02:00
• 39644c1bd1 Update validation code, added pdbx_item_enumeration check and test case-sensitive when required. Maarten L. Hekkelman 2026-04-13 10:38:43 +02:00
• 421758a01c automatic include generation is evil Maarten L. Hekkelman 2026-04-02 09:36:34 +02:00
• 86cec7f1c5 remove debug statement using-glm Maarten L. Hekkelman 2026-04-01 17:02:43 +02:00
• d4406b934c Removed own matrix implementation Maarten L. Hekkelman 2026-04-01 15:31:07 +02:00
• f105c64d85 All tests pass with new point type Maarten L. Hekkelman 2026-04-01 13:25:23 +02:00
• 3805eb3905 Compiling, but not working yet Maarten L. Hekkelman 2026-04-01 12:33:55 +02:00
• 4b05eec45a First steps Maarten L. Hekkelman 2026-04-01 10:58:33 +02:00
• a3a0e5cc70 Fix symmetry operations Maarten L. Hekkelman 2026-03-31 15:48:21 +02:00
• 9268aa3cfc Remove debug statement Maarten L. Hekkelman 2026-03-31 08:41:04 +02:00
• 187d7fc314 only use polymer entities to create pdbx_poly_seq_scheme Maarten L. Hekkelman 2026-03-30 08:20:50 +02:00
• 6df8b435ec Fix reconstruction of pdbx_poly_seq_scheme, again... Maarten L. Hekkelman 2026-03-25 16:16:24 +01:00
• 399827db41 Version bump Maarten L. Hekkelman 2026-03-25 09:59:53 +01:00
• 57aaf36bde Fix regression in reconstruct Maarten L. Hekkelman 2026-03-25 09:58:45 +01:00
• a804f6d107 Merge branch 'develop' into trunk v10.0.1 Maarten L. Hekkelman 2026-03-24 08:22:55 +01:00
• 0ab75e866e If fastfloat is needed, it should be installed system wide Maarten L. Hekkelman 2026-03-24 08:15:17 +01:00
• a092760c1e include fast_float Maarten L. Hekkelman 2026-03-23 18:45:14 +01:00
• ac1eaa7ca0 FastFloat, again Maarten L. Hekkelman 2026-03-23 17:44:24 +01:00
• 1d615eeff1 fast float for macOS (and FreeBSD?) Maarten L. Hekkelman 2026-03-23 17:36:35 +01:00
• d936b67e89 Fix for fastfloat, does not need linking Maarten L. Hekkelman 2026-03-23 16:38:31 +01:00
• 5ec523a7c9 fix for missing from_chars on FreeBSD Maarten L. Hekkelman 2026-03-23 16:37:33 +01:00
• 3fd8d1f507 Passing optional Maarten L. Hekkelman 2026-03-23 16:05:45 +01:00
• 1a7fffd561 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-03-23 13:56:00 +01:00
• 95ea353c4e Better constructors allowing easier emplacement of new items in e.g. a category Fix reconstruction of pdbx_poly_seq_scheme Maarten L. Hekkelman 2026-03-23 13:55:17 +01:00
• 1e39c43cd2 Fix for removal of operator bool Maarten L. Hekkelman 2026-03-17 13:30:29 +01:00
• cb109bacc4 remove operator bool for item's. The result is too ambiguous. Maarten L. Hekkelman 2026-03-17 13:22:21 +01:00
• 8e802331c9 Fix row_initializser, missing 'empty' data using wrong test Maarten L. Hekkelman 2026-03-17 13:17:41 +01:00
• eabcf437cd Add some more tests for I/O Maarten L. Hekkelman 2026-03-17 13:17:02 +01:00
• 03e5a05238 Last change to create_water was not good Maarten L. Hekkelman 2026-03-17 13:16:31 +01:00
• ebdd556729 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-03-17 11:53:03 +01:00
• 5860c83306 swap item_handle Maarten L. Hekkelman 2026-03-17 11:52:50 +01:00
• bb6410260e fix adding waters, keep auth_seq_id Maarten L. Hekkelman 2026-03-11 16:17:13 +01:00
• 3a8527e26d fix regression in output Maarten L. Hekkelman 2026-03-11 16:16:46 +01:00
• 3976d9edb6 add transposed matrix Maarten L. Hekkelman 2026-03-05 17:52:06 +01:00
• 2df904899d Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-03-04 20:28:12 +01:00
• 6eb8857877 Fix matrix multiplication Maarten L. Hekkelman 2026-03-04 20:28:04 +01:00
• 2f3a755ebd Better model, now include micro heterogeneity Maarten L. Hekkelman 2026-03-04 11:20:38 +01:00
• 9c4256b0f0 Removed kPI, replaced with std::numbers::pi Maarten L. Hekkelman 2026-03-03 10:46:16 +01:00
• fdc3972ec0 Fix makefile for examples Maarten L. Hekkelman 2026-03-02 11:27:41 +01:00
• a322d2efb8 Update documentation, add more license and copyright info Maarten L. Hekkelman 2026-03-02 11:20:59 +01:00
• 926b8c1069 Fix generating documentation Maarten L. Hekkelman 2026-03-02 09:14:15 +01:00
• 1e1a5b4cc8 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-03-02 07:30:52 +01:00
• 3e220e69a7 macOS is behind, again Maarten L. Hekkelman 2026-02-26 10:54:37 +01:00
• d5fbf05b44 documenting Maarten L. Hekkelman 2026-02-25 17:16:09 +01:00
• 3721922174 Remove last warnings Maarten L. Hekkelman 2026-02-25 15:11:17 +01:00
• 3d7b732090 use ranges for iota Maarten L. Hekkelman 2026-02-25 11:17:15 +01:00
• ea890b3942 Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop Maarten L. Hekkelman 2026-02-24 21:15:55 +01:00
• 92c335499d fix writing PDB file Maarten L. Hekkelman 2026-02-24 21:15:45 +01:00
• 96f0ae694c Avoid some string copies Maarten L. Hekkelman 2026-02-21 14:25:13 +01:00
• c3e1c46b63 using enum and more Maarten L. Hekkelman 2026-02-21 14:12:13 +01:00
• 5670417f12 using std::nullopt Maarten L. Hekkelman 2026-02-19 21:54:24 +01:00
• da7cb8741b Add operator<< to item_handle Maarten L. Hekkelman 2026-02-18 19:30:09 +01:00
• f2a28ed2d0 Better refactoring this time Maarten L. Hekkelman 2026-02-18 19:13:06 +01:00
• c91a9ff509 Revert "Refactoring again" Maarten L. Hekkelman 2026-02-18 17:28:54 +01:00
• 64edb4ddfd Refactoring again Maarten L. Hekkelman 2026-02-18 16:34:19 +01:00
• 8bf4399181 change path of main include file Maarten L. Hekkelman 2026-02-18 15:10:12 +01:00
• 889de19cd0 Fix for incorrect type Maarten L. Hekkelman 2026-02-17 16:37:01 +01:00
• b7680dcb92 More cleaning up v10.0.0 Maarten L. Hekkelman 2026-02-17 13:50:08 +01:00
• 43999dfade fixes, cartn's and type of ndb_seq_num Maarten L. Hekkelman 2026-02-16 13:05:00 +01:00
• 845b549128 fix parser for float like strings Maarten L. Hekkelman 2026-02-16 09:48:34 +01:00
• b019ba9b91 ouch... Maarten L. Hekkelman 2026-02-14 11:31:26 +01:00
• 7a49d064a1 Added forward declaration of file Maarten L. Hekkelman 2026-02-14 10:56:09 +01:00
• fd0a95221e add missing include Maarten L. Hekkelman 2026-02-13 20:36:22 +01:00
• 32acd48ce9 Fix Maarten L. Hekkelman 2026-02-13 20:21:44 +01:00
• 14be0638c1 removed forward_decl Maarten L. Hekkelman 2026-02-13 20:08:18 +01:00
• 2a0e52dff6 IWYU Maarten L. Hekkelman 2026-02-13 20:05:36 +01:00
• 0fe1178bdd why was this included? Maarten L. Hekkelman 2026-02-13 19:04:47 +01:00
• 7efa8970cc why? new-item-storage-plus Maarten L. Hekkelman 2026-02-13 19:03:14 +01:00
• 2f11d6d642 All tests pass Maarten L. Hekkelman 2026-02-13 16:26:38 +01:00
• a46a31ac52 first merge Maarten L. Hekkelman 2026-02-13 13:53:45 +01:00
• 0da03af25f Fix condition for testing null Maarten L. Hekkelman 2026-02-13 13:17:20 +01:00
• 70a6076242 Fix memory corruption Maarten L. Hekkelman 2026-02-13 11:33:11 +01:00
• 24386adfd6 Fix conditions and a memory leak Maarten L. Hekkelman 2026-02-13 10:35:10 +01:00
• 79674aef8f Assertions added Maarten L. Hekkelman 2026-02-13 09:34:40 +01:00
• 6348f59f15 three tests passing Maarten L. Hekkelman 2026-02-12 20:12:50 +01:00
• 276ce57d5e model-test passing Maarten L. Hekkelman 2026-02-12 19:56:05 +01:00
• cb81411d72 more work Maarten L. Hekkelman 2026-02-12 16:35:10 +01:00
• 6ec7033769 Merge branch 'new-item-storage-plus' of github.com:PDB-REDO/libcifpp into new-item-storage-plus Maarten L. Hekkelman 2026-02-12 14:43:39 +01:00
• 341b248175 There's still a lot of work to do Maarten L. Hekkelman 2026-02-12 10:58:08 +01:00
• da521fd2d1 attempting next test Maarten L. Hekkelman 2026-02-12 08:53:39 +01:00
• 25e167cfd3 no updateLinked when parsing Maarten L. Hekkelman 2026-02-12 08:44:07 +01:00
• 83a2def09c Remove boolean as basic type Maarten L. Hekkelman 2026-02-11 16:41:13 +01:00
• a6a27aaf00 Some cleaning up Maarten L. Hekkelman 2026-02-11 16:18:14 +01:00