Greg Landrum 4315388f77 Add a parameters structure for controlling the embedding options. (#1121) ...

* initial version; no actual testing yet

* start on tests

* rename seed->randomSeed; add tests

* add support in java wrapper

* add support in python wrapper

* initial version; no actual testing yet

* start on tests

* rename seed->randomSeed; add tests

* add support in java wrapper

* add support in python wrapper

* yapf

* document the parameter object;
introduce pre-defined const objects for ETDG, ETKDG, and KDG

* this is why we write tests

* swig did not like the initialization in the header file

2016-11-01 11:39:03 +01:00

..

src/org/RDKit

aded swig output dir

2013-11-03 13:05:51 +01:00

src-test/org/RDKit

Add a parameters structure for controlling the embedding options. (#1121)

2016-11-01 11:39:03 +01:00

CMakeLists.txt

try and resolve intermittent travis build problems

2016-08-02 17:19:03 +02:00

GraphMolJava.i

Fixes csharp build for 64 bit systems (#1098)

2016-10-14 15:40:05 +02:00

std_list.i

additional functionality required by the knime nodes

2011-04-12 10:09:41 +00:00