3 Commits

Author	SHA1	Message	Date
Greg Landrum	edd922c99c	Cleanup warnings from clang-10 (#3238) ... * stop returning local memory in exceptions * remove a couple unnecessary copies in loops * fix a bug in the way the default MMFF aromatic parameters are constructed * remove a bunch of loop-variable warnings * remove a bunch of clang warnings * disable clang warnings in python wrappers * remove some warnings when building the python wrappers	2020-06-19 17:16:22 -04:00
Greg Landrum	95613b6279	Allow SubstanceGroups to survive molecule edits (#3170) ... * Progress on #3168 * Fixes #3167 * Fixes #3169 * deal with CBONDS too * test PATOMS * Fixes #3175 * a bit of code simplification and test updates still needs more testing * more testing * handle s-group hierarchy also a couple of other changes in response to the review * add forgotten test file * changes in response to review	2020-05-19 17:35:08 +02:00
Greg Landrum	5a79190261	rename SGroup -> SubstanceGroup (#2375) ... We leave the names of the bit connected with Mol files as SGroups, since that is appropriate there, but the more generic pieces are renamed	2019-03-30 14:53:24 -04:00