Greg Landrum 54dc305600 add GetGridIndices to python wrapper

2013-12-20 12:11:56 +01:00

..

testData

merge in the changes from the 64 bit port branch r703:717

2008-06-11 05:01:17 +00:00

Wrap

add GetGridIndices to python wrapper

2013-12-20 12:11:56 +01:00

CMakeLists.txt

merge in a set of changes from Riccardo V. to install .h files as well;

2010-09-04 14:07:22 +00:00

Grid3D.h

remove clang warning

2013-12-02 04:31:26 +01:00

GridUtils.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

GridUtils.h

update copyright statements

2010-09-26 17:04:37 +00:00

point.cpp

add signed dihedral calculation. Add dihedral calculation to python interface

2012-03-11 05:21:09 +00:00

point.h

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

test_list.py

update test structure

2009-10-02 10:14:56 +00:00

testGrid.cpp

Add UniformGrid3D::getGridIndices()

2013-12-20 11:56:37 +01:00

testTransforms.cpp

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

Transform2D.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

Transform2D.h

update copyright statements

2010-09-26 17:04:37 +00:00

Transform3D.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

Transform3D.h

update copyright statements

2010-09-26 17:04:37 +00:00

Transform.h

update copyright statements

2010-09-26 17:04:37 +00:00

UniformGrid3D.cpp

Add UniformGrid3D::getGridIndices()

2013-12-20 11:56:37 +01:00

UniformGrid3D.h

Add UniformGrid3D::getGridIndices()

2013-12-20 11:56:37 +01:00

Utils.h

update copyright statements

2010-09-26 17:04:37 +00:00