Eisuke Kawashima
ba6d8e0d3b
clang-tidy: readability-simplify-boolean-expr ( #4639 )
2022-03-17 13:50:50 +01:00
Eisuke Kawashima
27f711a658
Run clang-tidy (readability-braces-around-statements) ( #4977 )
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https://github.com/rdkit/rdkit/pull/3024#discussion_r526549843
2022-03-10 08:00:10 +01:00
Eisuke Kawashima
013ba4f21d
Run clang-tidy (modernize-use-override) ( #4251 )
2021-07-01 05:18:56 +02:00
Eisuke Kawashima
78aac3c1bc
Run clang-format against header files ( #4143 )
2021-06-08 07:57:51 +02:00
Ric
c9199cf1da
Address #2753 ( #3750 )
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* add test export heder to gitignore
* define export macros in separate file
* install new header
* patch GA with the new macros
* fix struct declarations
* fix conformerparser exports
* fix MolSGroupParsing ParseV3000Array export
* fix java wrappers
* export exceptions
* remove duplicated exports
* Build RDGeneral exceptions into lib
* export queries, only for *nix
* fix RingDecomposerLib header manipulation
* fix CIP labeler test issues
2021-02-15 14:29:04 +01:00
Greg Landrum
1630540ef0
Add cxsmiles query atoms to CTAB parsers and writers ( #3261 )
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* allow CXSMILES generic query atoms to be parsed from mol;
need more tests here
* remove vestigial directory
* Add d_queryType to Query
This opens up additional flexibility with customizing the way queries are handled
Also includes some assorted cleanups in the Query directory
* remove the MolFileSymbol hack added in #3235
We don't need it anymore
* Add support for additional ChemAxon extensions and document them
Signed-off-by: greg landrum <greg.landrum@gmail.com >
* bump pickle version
* add an additional test
2020-07-03 12:51:19 -04:00
Greg Landrum
ec31bea97b
clang-tidy-7 pass ( #2408 )
2019-04-16 12:05:47 -04:00
Ric
be3170d0d5
Mem errors clean up ( #2305 )
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* fix test leaks
* fix "invalid read" when casting Query to EqualityQuery
* fix error cleanup in SMILES/SMARTS parsers
* SMILES/SMARTS parser fix updated *.cmake
* fix error cleanup in SLN parser
* SLN parser updated *.cmake
* updated suppressions
* update loop in sln bison
2019-03-08 05:39:59 +01:00
Greg Landrum
2738c35178
Fixes #1903 ( #1971 )
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* Fixes #1903
* update SWIG bindings too
2018-07-25 09:14:17 +02:00
Paolo Tosco
c08ea49bda
- enable building DLLs on Windows ( #1861 )
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* - enable building DLLs on Windows
* - export.h and test.h are now auto-generated by CMake
2018-05-16 08:42:41 +02:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Greg Landrum
1567ec4462
add getFullDescription() to Query;
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Fixes #287
2014-05-22 15:18:07 +02:00
Greg Landrum
5f85129f22
initial support for clang
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this is minor build-system variations and some code cleanup
the python wrapper still needs cleanup and
the sln stuff doesn't work at all under clang due to weirdness with boost::regex
2011-05-25 19:40:31 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
052ec66542
cleanups:
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remove x bit from headers and sources;
remove a couple empty files from Code/GraphMol
2010-09-08 04:25:57 +00:00
Greg Landrum
9c7f33a5c8
merge changes from QuerySerialization_6March2008 branch, revs 555:563, into the trunk;
2008-03-12 06:11:39 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
