17 Commits

Author	SHA1	Message	Date
Greg Landrum	2d78b7f710	FPB Reader documentation update	2016-04-12 06:21:18 +02:00
Greg Landrum	6581b4db7f	docs	2016-01-18 10:57:20 +01:00
Greg Landrum	37234afa62	passes tests	2016-01-18 10:42:04 +01:00
Greg Landrum	c0a820fb87	tversky basics work; still need better testing at the FPB level	2016-01-18 10:15:05 +01:00
Greg Landrum	38ece3aa62	backup, does not work	2016-01-18 04:23:07 +01:00
Greg Landrum	90f142cf11	a bit more documentaiton	2016-01-12 12:09:56 +01:00
Greg Landrum	700c59ff37	Add doxygen docs ... Add ExplicitBitVect versions of a few of the methods Update a couple of copyrights	2016-01-12 12:09:56 +01:00
Greg Landrum	438c1b217b	add fingerprint contains searches (to support SSS screening)	2016-01-12 12:09:55 +01:00
Greg Landrum	5af208a1e4	add a lazy mode that does not need to read in the whole database	2016-01-12 12:09:54 +01:00
Greg Landrum	9ae728ef5c	remove the topN arg since it isn't being used and won't save time anyway	2016-01-12 12:09:54 +01:00
Greg Landrum	50e925a478	further lessening of memory management stupidity	2016-01-12 12:09:54 +01:00
Greg Landrum	8722043df8	add nBits() method ... add getTanimotoNeighbors() method	2016-01-12 12:09:54 +01:00
Greg Landrum	08ce5a287d	crude initial python wrapper	2016-01-12 12:09:54 +01:00
Greg Landrum	2e9063964e	add getBytes(), test tanimoto	2016-01-12 12:09:53 +01:00
Greg Landrum	6bd2c20ac0	all tests pass	2016-01-12 12:09:53 +01:00
Greg Landrum	ca8ef113d4	parse popcounts and make them accessible	2016-01-12 12:09:53 +01:00
Greg Landrum	4cc2d46d49	initial commit, doesn't really do anything useful yet	2016-01-12 12:09:52 +01:00