11 Commits

Author	SHA1	Message	Date
Brian Kelley	7488840ac4	Fix/urange check (#1506) ... * Fixes atom documentation * Fixes #1461 This is a complicated one. Basically URANGE_CHECK when used on unsigned integers has a problem when the size of the range it’s checking is 0. The standard operations is to check URANGE(num, size-1) Which (for unsigned integers) obviously rolls over. This fixes all usage cases to be URANGE(num+1, size) And fixes the bugs found. (addBond and the mmff tests) * Fixes #1461 - Updates URANGE_CHECK to be 0<=x<hi	2017-09-11 21:17:33 +02:00
Greg Landrum	5f7e04fe5d	Fix github1240 (#1396) ... * add a test (currently fails, of course) * backup, not really working * Fixes #1240 * a bit more parameter tweaking to get some more structures to embed	2017-04-18 02:33:23 -04:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Brian Kelley	fb84c9f0b7	Switches to URANGE_CHECK when appropriate	2015-10-18 21:14:02 -04:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	ea910aab19	minor cleanup action	2010-04-19 07:47:48 +00:00
Greg Landrum	ec192d981e	changes to robustify (and somewhat speed up) the optimizer. These will change results	2010-02-28 13:11:34 +00:00
Greg Landrum	a643a9913a	dos2unix and untabify... sigh	2008-05-18 05:06:57 +00:00
Greg Landrum	64d21b0e6a	properly support FF dimensions other than 3	2008-01-04 07:22:27 +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