2 Commits

Author	SHA1	Message	Date
Greg Landrum	1630540ef0	Add cxsmiles query atoms to CTAB parsers and writers (#3261) ... * allow CXSMILES generic query atoms to be parsed from mol; need more tests here * remove vestigial directory * Add d_queryType to Query This opens up additional flexibility with customizing the way queries are handled Also includes some assorted cleanups in the Query directory * remove the MolFileSymbol hack added in #3235 We don't need it anymore * Add support for additional ChemAxon extensions and document them Signed-off-by: greg landrum <greg.landrum@gmail.com> * bump pickle version * add an additional test	2020-07-03 12:51:19 -04:00
Ric	01fbec33ff	Removal of redundant wildcards in SMARTS (Null Atom/Bond Query combination) (#2595) ... * add nullQuery algebra * update tests * add header to CMake file * add ownership notice to docstrings * rename functions * remove mergeNullQSecond * fix function name * Add comment about SMARTS changed to release notes	2019-08-15 14:37:17 +02:00