3 Commits

Author	SHA1	Message	Date
Greg Landrum	908e47cc03	support generalized substructure search in the SubstructLibrary (#6835) ... * support generalized substructure search in the SubstructLibrary * simplify namespaces * support the new functionality in the swig wrappers * update mac swig version in CI * ensure swig4 * switch mac_java ci builds to conda-forge * change in response to review * add copy ctor to extendedquerymol * Back to the way it was	2023-11-01 14:55:28 -04:00
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