9 Commits

Author	SHA1	Message	Date
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