Commit Graph

11 Commits

Author SHA1 Message Date
Greg Landrum
fb3cad523e Fixes #2896 (#2903) 2020-01-25 06:34:29 +01:00
jones-gareth
eb289cd13c Fix to allow multistructure images in Java/C# and use MCS for c# wrapper (#2898) 2020-01-23 09:03:09 +01:00
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
Brian Kelley
843f9cf735 Dev/general csharp fixes (#2341)
* SWIG wrap SubstructLibrary

* Fix tests

* Fix virtual overload for tagAtoms

* Add SubstructLibrary to swig

* Fix C# enums

* Ignore annoying boost:tuples in c#
2019-03-13 04:41:48 +01:00
Greg Landrum
e38d42ca11 Fix problems in the SWIG wrappers caused by #1546 (#1558)
* fix a couple problems in the java wrappers created by the changes

* more tests
2017-09-11 16:08:47 +02:00
Greg Landrum
9af90524a4 Provide support for color palettes in MolDraw2D (#1546)
* first steps towards flexible colour palettes

* add B&W palette and a test for it

* add python support;
this is, once again, not the best API due to the inability to auto-translate boost::tuples at this point

* more palette control from python

* rename some of the swig-wrapped types to make them more consistent

* handle palettes that do not have a default value
2017-09-08 10:52:01 +02:00
Greg Landrum
b9450b7ba7 add prepareMolForDrawing to SWIG wrapper; add a test for that too (#1523) 2017-08-12 15:34:50 -04:00
Greg Landrum
c1704daccd support supplying highlight radii 2015-03-04 07:21:03 +01:00
Greg Landrum
250ebffee5 cleanup the SWIG wrappers for the MolDraw2D a bit 2015-02-08 05:34:44 +01:00
Greg Landrum
f2e261c2f6 add internal stringstream support to MolDraw2DSVG 2015-02-06 03:15:24 +01:00
Greg Landrum
a5548e6e26 initial support for an explicit MolDraw2DSVG object; bring the csharp wrappers somewhat up-to-date 2015-02-04 07:16:30 +01:00