7 Commits

Author	SHA1	Message	Date
Greg Landrum	e145175047	remove getNumExplicitHs; change getTotalNumHs	2012-12-08 07:05:00 +00:00
Greg Landrum	a99ad44859	clean up some compiler warnings	2011-12-31 15:58:57 +00:00
Greg Landrum	c9161554b9	clean up some compiler warnings from clang	2011-05-26 02:36:23 +00:00
Greg Landrum	6fa65fbc68	move the _VSA descriptors into C++	2011-03-21 05:02:12 +00:00
Greg Landrum	456e68456b	move PSA into C++	2011-03-12 07:00:48 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	74069dc0a6	move the Labute ASA calculation into c++; expose crippen contributions to python. ... This stuff has not yet been built on windows and the python side is not yet ready to be checked in. This is a backup commit.	2007-10-13 09:31:23 +00:00