5 Commits

Author	SHA1	Message	Date
Greg Landrum	8e731f9e70	move the MolDiscriminators calculations into Subgraphs in order to remove the lapack dependency from the core molecule code; ... At some point the BalabanJ calculation, still in MolDiscriminators.cpp, should be moved to MolDescriptors.	2009-04-10 04:09:49 +00:00
Greg Landrum	1810d4ba18	remove some old references to lapack++; cleanup the subgraph utils code a bit	2008-04-24 07:17:44 +00:00
Greg Landrum	3e6cb74075	cleanup and documentation changes	2007-11-14 06:09:52 +00:00
Greg Landrum	5d03333c22	setup svn keywords (should have done this before import... grn)	2006-05-06 22:54:39 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00