17 Commits

Author	SHA1	Message	Date
Greg Landrum	79e8295586	Support Python 3.11 (#5994) ... * remove some more deprecated numpy stuff * workaround for changes to random.shuffle in python 3.11 * fix pickling of rdkit mols in python 3.11 * add py311 build to CI * update py311 CI * remove qt for py311 for the moment * only use the new code with pyversion >=3.11 * use the new logic for all pickle_suites * need to work with older py too	2023-01-24 18:16:26 +01:00
Greg Landrum	edd922c99c	Cleanup warnings from clang-10 (#3238) ... * stop returning local memory in exceptions * remove a couple unnecessary copies in loops * fix a bug in the way the default MMFF aromatic parameters are constructed * remove a bunch of loop-variable warnings * remove a bunch of clang warnings * disable clang warnings in python wrappers * remove some warnings when building the python wrappers	2020-06-19 17:16:22 -04:00
Eisuke Kawashima	5cd27a242f	Fix typo (#2862) ... * Fix typo * Reflect the comments * Fix more typos	2019-12-31 06:43:27 +01:00
Greg Landrum	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
Greg Landrum	a743cff4d7	Fixes #573	2015-09-20 04:44:39 +02:00
Greg Landrum	50332b599e	get some of the pickle problems resolved; this probably only works with python3 and is not yet 100% functional	2014-06-19 06:05:42 +02:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	1fa8cd321b	add SparseIntVect in both c++ and Python ... This still needs windows testing.	2007-09-22 18:49:37 +00:00
Greg Landrum	e9e865d33f	some rather embarassing typos preventing a linux build were fixed	2007-04-24 17:50:18 +00:00
Greg Landrum	c3dc1fd914	These are mostly documentation changes. Exceptions are noted below. ... Wrap/MolChemicalFeature.cpp: expose ClearCache() method. RDCode.sln: fix a dependency	2007-04-24 04:24:22 +00:00
Greg Landrum	820d450064	add operator+, operator-, operator+=, and operator -=	2007-03-17 06:59:47 +00:00
Greg Landrum	e66f08dc33	support operator& and operator|; ... some doc cleanups; fix a problem in the copy ctor for DiscreteValueVect	2007-03-15 05:59:08 +00:00
Greg Landrum	a73711e854	batch dos2unix conversion; untabify	2007-03-14 04:46:26 +00:00
Greg Landrum	f31ac073b5	add pickle support to the UniformGrid and DiscreteValueVect classes; ... This still needs to be checked on linux	2007-01-26 04:41:36 +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