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df522d02aa5acd4d5211651f68ff323c09dd19ca
rdkit/Code
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Ric df522d02aa E/Z and CIS/TRANS stereo bonds are incorrectly matched (#2596) 
* add E/Z to CIS/TRANS translator

* use translator in matching

* add a test
2019-08-21 16:35:35 +02:00
..
Catalogs
Code cleanups from PVS/Studio (#2531)
2019-07-13 07:25:37 +02:00
ChemicalFeatures
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
cmake
cleanup to make static builds work
2019-03-31 08:22:25 +02:00
DataManip
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
DataStructs
Code cleanups from PVS/Studio (#2531)
2019-07-13 07:25:37 +02:00
Demos
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
DistGeom
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
ForceField
Code cleanups from PVS/Studio (#2531)
2019-07-13 07:25:37 +02:00
Geometry
Allow Point2D to be constructed from Point3D (#2572)
2019-07-30 06:42:44 -04:00
GraphMol
E/Z and CIS/TRANS stereo bonds are incorrectly matched (#2596)
2019-08-21 16:35:35 +02:00
JavaWrappers
first pass at switching to a normal download (#2609)
2019-08-19 13:45:25 -04:00
MinimalLib
Add minimal JavaScript wrapper (#2444)
2019-06-06 08:45:21 +02:00
ML
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
Numerics
Enable SimilarityMaps in C++ (#2562)
2019-07-28 08:59:06 -04:00
PgSQL/rdkit
first pass at switching to a normal download (#2609)
2019-08-19 13:45:25 -04:00
Query
Removal of redundant wildcards in SMARTS (Null Atom/Bond Query combination) (#2595)
2019-08-15 14:37:17 +02:00
RDBoost
raise ValueErrors when constructing streambuffs with the incorrect type. (#2592)
2019-08-19 11:27:47 -04:00
RDGeneral
Integrate Unique Ring Families from RingDecomposerLib (#2558)
2019-07-30 06:41:55 -04:00
RDStreams
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
SimDivPickers
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
CMakeLists.txt
Add minimal JavaScript wrapper (#2444)
2019-06-06 08:45:21 +02:00
notes.txt
initial import
2006-05-06 22:20:08 +00:00
test_list.py
Issue1071/yapf (#1078)
2016-09-23 04:58:46 +02:00