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c5dc6cc2585424e522d625f50a4404c4b61bc357
rdkit/Code/GraphMol/SubstructLibrary
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Paolo Tosco c5dc6cc258 A few improvements to SubstructLibrary (#3557) 
* - enable SubstructLibrary to build without threading support
- enforce consistency across single- and multi-threaded runs
- improve performance on single-threaded runs avoiding overhead of spawning threads
- consolidate internalCountMatches and internalGetMatches into one function to reduce code duplication
- fix a bug in Python CountMatches whjich would run on 1000 threads

* reverted Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp as it is now in its own PR (#3558)

* - added missing cast
- removed unnecessary std::make_move_iterator
- added Brian's test

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2020-11-18 16:07:34 -05:00
..
Wrap
fixes bug in SubstructLibrary Python wrappers (see #3557) (#3558)
2020-11-09 10:08:26 -05:00
CMakeLists.txt
A few improvements to SubstructLibrary (#3557)
2020-11-18 16:07:34 -05:00
PatternFactory.cpp
A few improvements to SubstructLibrary (#3557)
2020-11-18 16:07:34 -05:00
PatternFactory.h
Add multithreaded pattern/fp generator (#2973)
2020-03-04 09:41:03 -05:00
SubstructLibrary.cpp
A few improvements to SubstructLibrary (#3557)
2020-11-18 16:07:34 -05:00
SubstructLibrary.h
clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
2020-05-28 09:07:58 +02:00
SubstructLibrarySerialization.h
Modernization: use nullptr (#3143)
2020-05-25 09:40:01 +02:00
substructLibraryTest.cpp
A few improvements to SubstructLibrary (#3557)
2020-11-18 16:07:34 -05:00