10 Commits

Author	SHA1	Message	Date
Greg Landrum	50e925a478	further lessening of memory management stupidity	2016-01-12 12:09:54 +01:00
Greg Landrum	5e7a7e0238	get a bit smarter about passing around pointers. still lots to do here, but it probably should wait for the c++14 version	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	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	3813e9c802	we can now also read IDs	2016-01-12 12:09:53 +01:00
Greg Landrum	d17f4ca8f1	fingerprints are now properly read in	2016-01-12 12:09:53 +01:00
Greg Landrum	773f6b0432	backup	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