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

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