Greg Landrum bada20dbaf Expose new default parameter objects to python (#1150) ...

* Fix a bug in the python DistGeom tests.

* test new features

* add simple parameter objects for ETDG, ETKDG, and KDG

* Update conformation generation documentation to use the new parameter objects.

2016-11-06 10:17:47 +01:00

..

test_data

Support ETKDG from within the SWIG wrappers (#1010)

2016-08-08 11:08:55 +02:00

Wrap

Expose new default parameter objects to python (#1150)

2016-11-06 10:17:47 +01:00

BoundsMatrixBuilder.cpp

remove some duplicated code

2015-12-16 14:36:59 +01:00

BoundsMatrixBuilder.h

first pass, using google style

2015-11-14 14:58:11 +01:00

CMakeLists.txt

add thread libs to a couple of tests

2014-01-25 05:58:51 +00:00

Embedder.cpp

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

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

Embedder.h

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

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

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

testDgeomHelpers.cpp

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

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