9 Commits

Author	SHA1	Message	Date
Greg Landrum	7c0bb0b743	clang-tidy output	2017-04-22 17:09:24 +02:00
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	f48812238d	Fixes #352	2014-10-20 05:23:38 +02:00
Greg Landrum	7ffd918143	Fixes #195	2014-01-16 01:52:58 -05:00
Greg Landrum	0055652503	change MACCS pattern 20 to match all Si atoms	2013-02-12 05:03:52 +00:00
Greg Landrum	f1b9d1ed2a	use the boost::flyweight pattern to get thread-safe initialization	2013-02-10 04:30:36 +00:00
Greg Landrum	357f41cc5f	somewhat optimized version from Roger. ... get the return vector the right size. note: this still is not thread safe.	2013-02-10 04:18:19 +00:00
Greg Landrum	a597e0ac0a	add C++ implementation of MACCS keys ... (contribution from Roger Sayle)	2013-02-09 16:01:07 +00:00