Greg Landrum a24de4c10c Merge pull request #870 from bp-kelley/fix/fixes-numrotatablebonds-python ...

Fixes regression in python api CalcNumRotatableBonds

2016-05-16 15:04:44 +02:00

..

test_data

Fixes #351

2014-10-14 01:20:42 +02:00

Wrap

Merge pull request #870 from bp-kelley/fix/fixes-numrotatablebonds-python

2016-05-16 15:04:44 +02:00

CMakeLists.txt

add thread libs to a couple of tests

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

ConnectivityDescriptors.cpp

first pass, using google style

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

ConnectivityDescriptors.h

first pass, using google style

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

Crippen.cpp

first pass, using google style

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

Crippen.h

first pass, using google style

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

Lipinski.cpp

Fixes missing gcc update for enum class

2016-03-21 21:50:29 -04:00

Lipinski.h

Fixes gcc namespace/enum issue

2016-03-21 21:00:16 -04:00

MolDescriptors.cpp

Fixes #694

2016-02-16 15:38:02 +01:00

MolDescriptors.h

first pass, using google style

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

MolSurf.cpp

first pass, using google style

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

MolSurf.h

first pass, using google style

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

MQN.cpp

first pass, using google style

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

MQN.h

first pass, using google style

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

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00

test.cpp

Fixes NumRotatableBonds in c++ tests

2016-03-21 22:55:24 -04:00