10 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
Greg Landrum	ec31bea97b	clang-tidy-7 pass (#2408)	2019-04-16 12:05:47 -04:00
Greg Landrum	2738c35178	Fixes #1903 (#1971) ... * Fixes #1903 * update SWIG bindings too	2018-07-25 09:14:17 +02:00
Paolo Tosco	c08ea49bda	- enable building DLLs on Windows (#1861) ... * - enable building DLLs on Windows * - export.h and test.h are now auto-generated by CMake	2018-05-16 08:42:41 +02:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	7fcf3c4be8	cleanup	2012-03-22 04:23:17 +00:00
Greg Landrum	a9e2447b28	another checkpoint; this seems to be working for the lipinksi and crippen descriptors	2012-02-25 05:38:09 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	052ec66542	cleanups: ... remove x bit from headers and sources; remove a couple empty files from Code/GraphMol	2010-09-08 04:25:57 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00