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Rachel Walker ef67ab6bb8 Added GetQueryType() to python query atom API (#4882) 
* Added GetQueryType() to python query atom API

* Update Code/GraphMol/Atom.h

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2022-01-20 04:09:37 +01:00
..
Catalogs
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
ChemicalFeatures
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2021-10-20 04:25:27 +02:00
cmake
Fixes #4681 and a few Windows PgSQL build problems (#4692)
2021-11-20 04:28:49 +01:00
DataManip
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
DataStructs
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2021-10-20 04:25:27 +02:00
Demos
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2021-10-20 04:25:27 +02:00
DistGeom
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2021-10-20 04:25:27 +02:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
ForceField
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2021-10-20 04:25:27 +02:00
Fuzz
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2021-10-20 04:25:27 +02:00
Geometry
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
GraphMol
Added GetQueryType() to python query atom API (#4882)
2022-01-20 04:09:37 +01:00
JavaWrappers
fix some leaks in the SWIG wrappers (#4916)
2022-01-19 21:22:53 +01:00
MinimalLib
Expose get_smarts to JS (#4547)
2021-09-23 04:37:13 +02:00
ML
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
Numerics
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
PgSQL/rdkit
correctly tag unspecified branch-begin bonds in SMARTS (#4811)
2021-12-28 04:29:12 +01:00
Query
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
RDBoost
Fix a number of crashing bugs in the python wrappers (#4810)
2021-12-27 16:09:06 -05:00
RDGeneral
Add support for Beilstein generics when doing substructure queries (#4673)
2021-12-01 06:01:53 +01:00
RDStreams
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
SimDivPickers
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
CMakeLists.txt
MinimalLib: add CFFI interface (#4018)
2021-04-15 21:33:52 +02:00
notes.txt
Unset executable flag
2019-10-10 20:18:43 +09:00