Commit Graph

10 Commits

Author SHA1 Message Date
Riccardo Vianello
0c46879f21 fix several warnings originating from the swig wrappers (#7063) 2024-02-02 15:39:40 +01:00
jones-gareth
9a864f4238 Sgroup (#3390)
* Changes to use SubstanceGroups in Java

* Forgot to add SWIG file

* Java test for SubstanceGroup wrappers

* Added RDKit boilerplate
2020-09-09 04:59:08 +02:00
Greg Landrum
ba12d98ad0 Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers (#1713)
* Removes ATOM/BOND_SPTR in boost::graph in favor of raw pointers

* Actually delete atoms and bonds...

* RWMol::clear now calls destroy to handle atom/bond deletion

* Changes broken Atom lookup for windows/gcc

* Adds tests for running with valgrind

* Adds test designed for valgrind and molecule deletions

* Removes RNG, actually tests bond deletions

* update swig wrappers

* deal with most recent changes on the main branch
2018-01-07 14:19:47 -05:00
Brian Kelley
8c41e248e4 Fix/java win64 memoryleak (#1159)
* Fixes memory leak

* Fixes java windows 64 builds
2016-11-11 04:44:22 +01:00
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
7c4ead6d10 small changes in java wrappers 2013-10-23 08:09:18 +02:00
Greg Landrum
02fda45efe fixes greglandrum/rdkit#32 2013-05-17 05:15:17 +02:00
Greg Landrum
5fab7845e3 make these work with non-java wrappers 2012-10-28 12:17:57 +00:00
Greg Landrum
e2d9ed51b3 add svn props 2011-07-01 04:43:39 +00:00
Greg Landrum
c7ef21088b add initial version of new swig wrappers 2011-04-07 05:22:00 +00:00