17 Commits

Author	SHA1	Message	Date
Greg Landrum	7c0bb0b743	clang-tidy output	2017-04-22 17:09:24 +02:00
Greg Landrum	b9ba12f8f9	Remove extra calls to python::register_exception_translator	2016-03-01 06:36:54 +01:00
Greg Landrum	79e1f8b1fa	compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10	2015-11-28 06:49:34 +01:00
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
Riccardo Vianello	3358ec5925	initial set of changes introducing python3 support	2014-06-17 18:26:41 +02:00
Greg Landrum	e71c0a2d2d	Fixes #167 ... I am not completely comfortable with the fact that one reference energy in testDistGeom.py had to be changed. This is worth looking into some more	2013-11-27 07:26:05 +01:00
Greg Landrum	4adb4d9889	Fixes #55	2013-07-02 05:23:56 +02:00
Greg Landrum	43dc95bfea	fix issue 3528136	2012-05-20 08:54:08 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	8b321cc5b4	fix 2318431: deprecation warnings from numpy	2008-11-21 05:55:08 +00:00
Greg Landrum	c9eb4e91e1	merge revs 736:741 from branch http://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/NumPyPort_27June2008 ... This removes the numeric python dependency and switches to relying on numpy. current status of tests from branch: pass on lin32 and 64 and win32.	2008-07-05 07:42:38 +00:00
Greg Landrum	05f390fe6d	rename EmbedObject.h -> ChiralSet.h and clean it up a bit	2008-05-18 05:14:40 +00:00
Greg Landrum	a643a9913a	dos2unix and untabify... sigh	2008-05-18 05:06:57 +00:00
Santosh Putta	613750681f	chnages to function call due to addition of chirality code	2006-11-22 01:00:19 +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