15 Commits

Author	SHA1	Message	Date
Riccardo Vianello	7c346d7c2e	Code/RDBoost/Exceptions.h moved to Code/RDGeneral	2015-03-16 22:31:48 +01:00
Greg Landrum	7fa02f748b	Fixes #430	2015-02-04 13:45:47 +01:00
Greg Landrum	2fbea33612	Fixes #429	2015-02-04 10:20:13 +01:00
Greg Landrum	3f23c91eba	did not have the version for breakSomeBonds() quite right	2014-11-22 10:42:17 +01:00
Greg Landrum	1725e22cca	allow tracking the number of cuts made by the fragmentation code on a per-atom basis	2014-11-22 07:57:39 +01:00
Greg Landrum	2187437649	fix a couple typos	2014-07-07 15:57:27 +02:00
Greg Landrum	288feb7a8a	support partial fragmentation on bonds; ... Fixes #288	2014-07-02 05:47:02 +02:00
Greg Landrum	f5cf3322fe	code cleanup: removing compiler warnings	2014-05-08 06:06:07 +02:00
Greg Landrum	6c354852d1	small cleanups	2013-11-07 10:57:18 +01:00
Greg Landrum	95c6c7f261	fragmentOnBonds() fix	2013-11-02 07:17:42 +01:00
Greg Landrum	ea42bf5465	BRICS-related bug fixes	2013-02-05 04:56:10 +00:00
Greg Landrum	89398a10c2	make sure computed props get cleared	2013-01-31 04:54:28 +00:00
Greg Landrum	84d6ddb3f3	add fragmentOnBRICSBonds()	2013-01-30 06:31:06 +00:00
Greg Landrum	fa2b82b606	breaking all BRICS bonds now works	2013-01-29 16:22:27 +00:00
Greg Landrum	00655e7bd6	backup commit; may not build	2013-01-29 06:28:31 +00:00