13 Commits

Author	SHA1	Message	Date
Greg Landrum	3a557df24b	modify pattern fp order; update expected psql results (#1399) ... * move the new pattern to the end of the list so that existing bit definitions stay constant * update expected results for psql tests	2017-04-19 11:57:48 -04:00
Greg Landrum	103a84da4d	Fix/github879 (#1354) ... * Fixes #879 * add warning to release notes	2017-03-08 23:17:04 -05:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Brian Kelley	403a3d6b7c	Suppresses Boost warnings	2015-10-18 13:41:03 -04:00
Greg Landrum	00146b2cd7	Move the query information functions from Fingerprints to QueryOps.h	2015-08-18 16:41:24 +02:00
Greg Landrum	7306903ef7	use boost::flyweight to ensure thread-safe construction of the pattern fingerprint queries	2014-05-08 04:27:06 +02:00
Greg Landrum	34ab68ca2a	introduce QueryBond::QueryMatch, as with QueryAtoms; ... all tests passing; performance tests still needed	2014-05-07 05:29:25 +02:00
Greg Landrum	12a97b3bd2	fixes the bug, but probably drastically drops the screenout rate	2014-05-06 03:25:20 +02:00
Greg Landrum	9790d326c6	switch to fastFindRings for pattern fingerprinter	2013-11-15 06:50:20 +01:00
Greg Landrum	6dd83d03f6	Fixes #151	2013-11-10 06:50:10 +01:00
Greg Landrum	00d350c000	Fixes #151	2013-11-10 06:07:49 +01:00
Greg Landrum	c7ad724f23	code cleanup	2013-03-29 17:16:29 +00:00
Greg Landrum	5b67e9c3e0	rename layered fingerprint2 -> pattern fingerprint ... rearrange fingerprint code a bit	2013-03-28 09:44:33 +00:00