13 Commits

Author	SHA1	Message	Date
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	4db8233db6	sync with trunk	2010-09-10 05:12:41 +00:00
Greg Landrum	052ec66542	cleanups: ... remove x bit from headers and sources; remove a couple empty files from Code/GraphMol	2010-09-08 04:25:57 +00:00
Greg Landrum	0ce95829a5	cleanup deprecated args	2010-08-21 00:16:55 +00:00
Greg Landrum	f42f479d28	enabling infrastructure for making repeated recursive ... smarts queries run faster (like vector bindings). Though there is an addition to the smarts parser exposed here, I do not recommend using it in client code.	2010-06-03 10:02:15 +00:00
Greg Landrum	ec2c2042e8	remove the vflib usage code from Substruct area	2010-04-19 07:45:22 +00:00
Greg Landrum	30fe77b609	initial commit: passes all tests and seems to be faster than the original code	2009-02-09 16:19:31 +00:00
Greg Landrum	e450f5beeb	doc updates and some minor formatting changes	2007-10-24 16:37:37 +00:00
Greg Landrum	7cfa8cde0b	another substruct caching try	2007-09-23 06:56:13 +00:00
Greg Landrum	d5ffea669d	add support for chirality in substructure searches; ... this only is going to work in cases where CIP codes have been (i.e. can be) assigned to atoms.	2006-11-03 06:35:14 +00:00
Greg Landrum	88d596abca	get the AR_MOLGRAPH caching write with substructs; the current implementation introduces a core leak, so it is disabled by default	2006-10-19 05:24:05 +00:00
Greg Landrum	a5d7fc550a	try to get ChemTransforms checked in	2006-07-18 05:35:12 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00