2 Commits

Author	SHA1	Message	Date
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
Ric	d26d4b076e	Support for parsing/writing SGroups in SD Mol files. (#2138) ... * Implementation of SGroups * remove sample files test * update gitignore with test outputs * fix RevisionModifier * re-enable tests * backup commit; things seem to work so far * some refactoring; obvious s group tests pass now * more refactoring * everything now out of the public API * not sure why this was still in there * rename functions; all tests now pass * remove getNextFreeSGroupId; readd comment in copy SGroups * clang-format * squash-merge current master * squash merge master * Address comments on PR - Update to current master. - Move SGroup parse time checks to SGroupChecks namespace. - Store SGroups in ROMOl as vector<SGroups>. - SGroup methods return referenes instead of pointers. - Use atom/bond/sgroup indexes for properties instead of pointers. - Have SGroups inherit from RDProps; move properties to RDProps. - Remove trivial/unused methods. - Add a link to the SD specification atop SGroup.h	2019-01-22 15:42:27 +01:00