Commit Graph

5 Commits

Author SHA1 Message Date
Greg Landrum
404df80b8a make sure that the global EmbedParameter objects are not writeable from Java (#1824) 2018-04-17 13:37:04 +02:00
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
Greg Landrum
cb710340a1 Support ETKDG from within the SWIG wrappers (#1010)
* add test files

* add seed to the mol name so that it is obvious

* add support (and tests) for ETKDG to Java
2016-08-08 11:08:55 +02:00
Greg Landrum
e2d9ed51b3 add svn props 2011-07-01 04:43:39 +00:00
Greg Landrum
7e3c70f71a missed some files on the commit 2011-04-08 02:46:35 +00:00