21 Commits

Author	SHA1	Message	Date
Brian Kelley	2debdfde0d	Adds RDAny (smaller generic holder) Updates all used dictionaries (#896) ... * Adds RDAny (smaller generic holder) Updates all used dictionaries This is an API compliant version of the current rdany system, but uses a lot less memory in practice. * Removes code duplication * Converts CHECK_INVARIANT to TEST_ASSERT * Fixes DoubleTag issue * Adds Bool to DoubleMagic implementation * Removes reference to property pickler	2016-05-29 17:04:21 +01:00
Greg Landrum	a321337f33	remove assignAtomCIPRanks() from the SWIG Wrappers	2015-12-25 06:42:28 +01:00
Greg Landrum	3db6d874ba	fix SWIG wrappers for the resonance mol suppliers	2015-11-04 05:29:50 +01:00
Paolo Tosco	ffa524c87b	- added SWIG Java wrappers for ResonanceMolSupplier and ... getResonanceSubstructMatches() - added a few tests	2015-11-02 22:45:41 +00:00
Brian Kelley	7240f92ab5	Add First pass at Java FilterCatalog wrapper	2015-09-03 14:55:06 +02:00
Greg Landrum	6d7b2b0914	merge with master	2015-01-22 06:30:51 -05:00
Greg Landrum	cddaf519cd	switch to using MolDraw2D in the java wrapper	2015-01-13 07:20:13 +01:00
Greg Landrum	1bc77d9475	get these building again	2014-07-29 04:47:25 +02:00
Greg Landrum	6e27eb3f1f	remove some defs that were producing useless results anyway ... Fixes #277	2014-06-29 15:39:29 +02:00
Greg Landrum	9f4471f872	more on #204 ... A few other cleanups	2014-02-06 06:43:28 +01:00
Greg Landrum	c73792bb21	passing all tests	2014-01-24 05:16:56 +01:00
Greg Landrum	c0dfdb00b1	Fixes #152	2013-11-19 06:15:13 +01:00
Greg Landrum	0639f0c3d4	Merge branch 'PDB_29September2013'	2013-10-16 05:35:12 +02:00
Greg Landrum	d5fac5501b	add basic support for O3A to Java wrapper	2013-10-12 16:54:49 +02:00
Greg Landrum	5ce9c06d68	initial pass at adding pdb support into the swig wrappers	2013-10-11 05:51:01 +02:00
Greg Landrum	ee28352889	move the svg drawing code into GraphMol too	2012-12-03 16:03:02 +00:00
Greg Landrum	3a78545b2b	fix a leak with getAtoms(); reported by Thomas Veith	2012-11-21 15:31:10 +00:00
Greg Landrum	79740d64a5	fix some leaks in the java wrapper; a more systematic analysis needs to be done here	2012-06-20 03:30:37 +00:00
Greg Landrum	e2d9ed51b3	add svn props	2011-07-01 04:43:39 +00:00
Greg Landrum	800a4c2149	additional functionality required by the knime nodes	2011-04-12 10:07:52 +00:00
Greg Landrum	7e3c70f71a	missed some files on the commit	2011-04-08 02:46:35 +00:00