13 Commits

Author	SHA1	Message	Date
Greg Landrum	dc84967df2	A bunch of modernization of the ShapeHelpers code (#8954) ... * modernize testShapeHelpers * a bunch of modernization of the shape helper code	2025-12-15 15:49:00 -05:00
jasondbiggs	5065340b20	a few doxygen comment fixes (#4368) ... * collection of doxygen fixes * more files with fixed doxygen comments * more doxygen fixes * more doxygen fixes * last set of doxygen comment fixes Co-authored-by: Jason Biggs <jasonb@wolfram.com>	2021-08-09 04:58:01 +02:00
Eisuke Kawashima	e86e2c1d5d	Modernization: use nullptr (#3143)	2020-05-25 09:40:01 +02:00
Eisuke Kawashima	5cd27a242f	Fix typo (#2862) ... * Fix typo * Reflect the comments * Fix more typos	2019-12-31 06:43:27 +01:00
Greg Landrum	ec31bea97b	clang-tidy-7 pass (#2408)	2019-04-16 12:05:47 -04:00
Greg Landrum	2738c35178	Fixes #1903 (#1971) ... * Fixes #1903 * update SWIG bindings too	2018-07-25 09:14:17 +02:00
Paolo Tosco	c08ea49bda	- enable building DLLs on Windows (#1861) ... * - enable building DLLs on Windows * - export.h and test.h are now auto-generated by CMake	2018-05-16 08:42:41 +02:00
susanhleung	1743ced5a5	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	2018-03-24 08:33:30 +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	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	75a79b6327	initial import	2006-05-06 22:20:08 +00:00