8 Commits

Author	SHA1	Message	Date
susanhleung	4546e8cba8	add Tversky index calculation for shapes (#1777) ... * trying to add shape tversky * alpha and beta no defaults, added more tverskyIndex tests to testGrid * corrections to GridUtils.h and ShapeUtils.cpp * corrections to GridUtils.h	2018-03-17 19:47:28 +01:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +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	c539e42246	fix a dumb typo	2008-04-16 13:38:49 +00:00
Greg Landrum	c75aa34b4b	- Expand availability of the protrude distance measure. ... - Remove a few confusing and unnecessary SD file handling functions from FileParsers (better functionality is available in the SDMolSupplier) - Support not removing Hs in the Mol file handlers (C++ and Python)	2007-08-11 16:22:42 +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