12 Commits

Author	SHA1	Message	Date
Greg Landrum	adbfb5bd8b	Fixes #1044 (#1077)	2016-09-23 04:57:27 +02:00
Greg Landrum	cf7ceab383	remove wave of warnings	2016-03-30 13:09:59 +02:00
Riccardo Vianello	d1f206e923	replace std::map::at with std::map::operator[]	2016-01-12 20:53:22 +01:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Brian Kelley	39b69b3600	Adds maxCutBonds to MMPA interface to limit combinitorial explosion	2015-11-11 08:02:11 -05:00
Brian Kelley	fe42eb87ef	Fixes a memory leak in fragmentMol	2015-11-11 07:23:40 -05:00
Greg Landrum	11f5df5746	Fixes #655	2015-11-02 04:36:50 +01:00
Alexander Savelyev	5be9540e39	mmpa: fix bug with num_of_cuts > 2 case	2015-08-14 14:57:42 +03:00
Alexander Savelyev	18e15956aa	fix MMPA bugs for some tests	2015-08-04 14:49:51 +03:00
Alexander Savelyev	e60c4c2b8d	mmpa: remove boost_regex dependency at all. Add new test references	2015-06-19 13:55:40 +03:00
Alexander Savelyev	31786455d7	updates to mmpa. reduce number of smiles parsing	2015-06-03 12:14:38 +03:00
Alexander Savelyev	e16d51ed8a	mmpa first version was added	2015-05-08 16:47:55 +03:00