pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
e21c39dcb3687b61a61d9c6a752277b5cc77ef3b
rdkit/Code/GraphMol/SubstructLibrary
History
Greg Landrum e21c39dcb3 SubstructLibrary improvements (#4403) 
* support MolBundles in the SubstructLibrary

* support SubstructMatchParameters in SubstructLibrary

* expose those methods to the python wrapper

* fix non-threadsafe build problem

* be explicit about sorting

* add the option to set the search order

* add example functions for setting the search order
2021-08-24 05:02:41 +02:00
..
Wrap
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
catch_tests.cpp
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
CMakeLists.txt
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
PatternFactory.cpp
Add tautomer query to the substructlibrary (#3808)
2021-03-05 04:56:20 +01:00
PatternFactory.h
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
SubstructLibrary.cpp
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
SubstructLibrary.h
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
SubstructLibrarySerialization.h
SubstructLibrary improvements (#4403)
2021-08-24 05:02:41 +02:00
substructLibraryTest.cpp
Cleanup some problems found during an ASAN build (#4054)
2021-04-21 10:22:04 -04:00