Greg Landrum 881d4e2b42 Enable SimilarityMaps in C++ (#2562) ...

* basic conrec integration

* basic conrec integration

* add molecule contouring

* update

* add an alpha channel to the color

* allow filling the grid

* cleanup

* remove some debugging output

* first pass at getting similarity maps to actually work

* updates

* add another test
explicitly set linewidth to 1

* some SVG cleanup

* add option for extra padding

* update expected test results

* efficiency

* at least something of a test

* forgot an import

* fix SWIG wrappers

* cleanups in response to review

* allow calling the functions without providing levels

* allow contouring numpy grids

2019-07-28 08:59:06 -04:00

..

Alignment

Fixes #2516 (#2519)

2019-06-28 09:57:00 -04:00

EigenSolvers

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

Optimizer

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

CMakeLists.txt

Enable SimilarityMaps in C++ (#2562)

2019-07-28 08:59:06 -04:00

Conrec.h

Enable SimilarityMaps in C++ (#2562)

2019-07-28 08:59:06 -04:00

Matrix.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

SquareMatrix.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

SymmMatrix.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

test_list.py

Issue1071/yapf (#1078)

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

testConrec.cpp

Enable SimilarityMaps in C++ (#2562)

2019-07-28 08:59:06 -04:00

testMatrices.cpp

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

Vector.h

Fixes #1903 (#1971)

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