8 Commits

Author	SHA1	Message	Date
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