11 Commits

Author	SHA1	Message	Date
Greg Landrum	4a14a52674	Fixes #153	2013-11-15 06:47:18 +01:00
Greg Landrum	a99ad44859	clean up some compiler warnings	2011-12-31 15:58:57 +00:00
Greg Landrum	3b3d44db16	remove exe property from source files	2011-01-13 04:22:56 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	2eb3f1f39f	test issue2892580	2010-01-14 16:08:21 +00:00
Greg Landrum	9cabf87374	remove vflib from Jamfiles ... remove const specifiers from return values in DataStructs add initial pass at query-query matching for Atoms and Bonds fix and test for sf.net issu 2738320 add Mol.AddRecursiveQuery() method to Mol	2009-06-29 11:47:38 +00:00
Greg Landrum	d99c43df74	remove obsolete FIX comment; make this a bit more robust to fp error	2008-08-13 06:38:02 +00:00
Greg Landrum	57be4a92ef	This is a fix for sf.net issue 1968930: ... http://sourceforge.net/tracker/index.php?func=detail&aid=1968930&group_id=160139&atid=814650 In order to fix the problem, the value of the query function for atomMass queries is being multiplied by a constant factor (currently 1000) before converting to an int. This allows distinguishing between things like [CH4] (where the C has mass 12.011) and [12CH4] (where the C has mass 12.000).	2008-08-13 04:56:48 +00:00
Greg Landrum	a3e6cb057e	this is a mass of cleanup stuff; mostly line endings	2008-07-07 13:21:24 +00:00
Greg Landrum	5d03333c22	setup svn keywords (should have done this before import... grn)	2006-05-06 22:54:39 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00