11 Commits

Author	SHA1	Message	Date
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	b993f89afe	remove the bjam-based build system	2010-09-27 03:54:07 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	20096c76a9	refactoring of the BitVect interface to make capitalization consistent ... w/ the rest of the RDKit. i.e.: SetNumBits -> setNumBits	2010-05-30 15:15:46 +00:00
Greg Landrum	7f0c2c05fc	remove lapack from the jamfiles	2009-10-31 06:09:20 +00:00
Greg Landrum	9cabf87374	remove vflib from Jamfiles ... remove const specifiers from return values in DataStructs add initial pass at query-query matching for Atoms and Bonds fix and test for sf.net issu 2738320 add Mol.AddRecursiveQuery() method to Mol	2009-06-29 11:47:38 +00:00
Greg Landrum	d73c892179	add a couple of things for faster similarity searching	2008-12-08 14:26:19 +00:00
Greg Landrum	375beb44ed	add some atom-pair functionality. This needs testing.	2008-04-12 14:58:43 +00:00
Greg Landrum	26a4124ad9	remove files for old build system	2008-02-20 17:06:59 +00:00
Greg Landrum	5ad2aee617	molSubstructCount had the argument order wrong and wasn't using recursive smarts	2008-01-12 06:42:10 +00:00
Greg Landrum	d6c541d0fe	added	2007-11-22 18:10:21 +00:00