3 Commits

Author	SHA1	Message	Date
Paolo Tosco	f7c888844d	moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)	2018-10-11 17:35:23 -04:00
Greg Landrum	8a099085ea	Fixes #1988 (#1997) ... * Fixes: #1988 This just handles the atomic number part. Still need to think about the bond types * update the tests This includes adding UnitTestSaltRemover.py to the list of tests to be run * fix bug from interacting PRs	2018-08-13 18:40:28 +02:00
Greg Landrum	bccf5da2ed	Add support for constructing atoms/bonds from SMILES/SMARTS (#1998) ... * not done... nossir * this works for molecules * works * update the .cmake files for the smiles parser * do the same thing for smarts * add to the python wrappers	2018-08-12 17:08:57 -04:00