12 Commits

Author	SHA1	Message	Date
Alexander Savelyev	ec6ecdd3bc	request notes were fixed. chirality algorithm was slighlty improved	2015-04-06 19:53:19 +03:00
Alexander Savelyev	51e886d89d	fmcs cosmetic changes. code clean-up. unit tests	2014-08-14 22:11:44 +04:00
Greg Landrum	7a2687e0c1	reformat code	2014-07-22 03:34:19 +02:00
Greg Landrum	c9b91cd744	code formatting changes (indentation and untabify)	2014-07-01 05:48:51 +02:00
Alexander Savelyev	21b2ea4a68	improve prune() heuristic. the search speed was increased. mem leaks fixed	2014-06-26 19:05:55 +04:00
Alexander Savelyev	98e052bc8c	bug with isotopes was fixed	2014-06-11 17:38:20 +04:00
f	be1a2dde81	query optimisation was implemented. Memory leak was fixed. Verbose cosmetic	2014-05-30 15:02:53 +04:00
Savelyev Alexander	604ee4c675	bug with empty MCS was fixed. MT stub	2014-05-12 21:39:55 +04:00
Alexander Savelyev	ddba1b3650	fast match was implemented for FMCS. cosmetic changes	2014-04-29 15:34:21 +04:00
Greg Landrum	9d734e7b74	next round of updates from Alex	2014-04-14 12:32:18 +02:00
Greg Landrum	24a9689f45	dos2unix run	2014-04-07 09:27:07 +02:00
Greg Landrum	a5f5247d32	add initial implementation for testing	2014-04-03 05:07:47 +02:00