Susan Leung f0cc4bffbf ShapeTverskyIndex python function (#2156) ...

* trying to add shape tversky

* alpha and beta no defaults, added more tverskyIndex tests to testGrid

* added python function ShapeTverskyIndex to call tverskyMolShapes

* rebasing

* add python test for ShapeTverskyIndex

* changing to aassertAlmostEqual in testShapeHelpers

2018-11-08 07:42:10 -06:00

..

test_data

initial import

2006-05-06 22:20:08 +00:00

Wrap

ShapeTverskyIndex python function (#2156)

2018-11-08 07:42:10 -06:00

CMakeLists.txt

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

ShapeEncoder.cpp

first pass, using google style

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

ShapeEncoder.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

ShapeUtils.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

ShapeUtils.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

test_list.py

Issue1071/yapf (#1078)

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

testShapeHelpers.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00