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2 Commits

Author SHA1 Message Date
Greg Landrum
3193b76d8c cleanup some compiler warnings (#4521) 
* cleanup some clang warnings

* get rid of some VC++ warnings
 2021-09-16 04:34:40 +02:00
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