/* * * Copyright (c) 2015, Novartis Institutes for BioMedical Research Inc. * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are * met: * * * Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * * Redistributions in binary form must reproduce the above * copyright notice, this list of conditions and the following * disclaimer in the documentation and/or other materials provided * with the distribution. * * Neither the name of Novartis Institutes for BioMedical Research Inc. * nor the names of its contributors may be used to endorse or promote * products derived from this software without specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR * A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT * OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ %include "boost_tuple.i" %include "std_vector.i" %include "std_map.i" %include "std_pair.i" %include "boost_tuple.i" %{ #include #include #include #include #include #include #include %} %template(Int_String_Map) std::map< int, std::string >; #ifdef SWIGJAVA %template(ColourPalette) std::map< int, RDKit::DrawColour >; #endif %template(Int_Double_Map) std::map< int, double >; %template(Float_Pair) std::pair; %template(Float_Pair_Vect) std::vector< std::pair >; %template(ROMol_Ptr_Vect) std::vector; %template(Point2D_Vect) std::vector; %ignore RDKit::MolDraw2DSVG::MolDraw2DSVG(int,int,std::ostream &); %ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians( MolDraw2D &, const std::vector &, const std::vector &, const std::vector &, size_t, std::vector &, const ContourParams &); %ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians( MolDraw2D &, const std::vector &, const std::vector &, const std::vector &, size_t, ContourParams &); %ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians; %ignore RDKit::MolDraw2DUtils::contourAndDrawGrid; %include %include %include %inline %{ void ContourAndDrawGaussians( RDKit::MolDraw2D &drawer, const std::vector &p_locs, const std::vector &heights, const std::vector &widths, size_t nContours, std::vector &levels, const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){ std::vector locs; locs.reserve(p_locs.size()); for(const auto *p : p_locs){ locs.push_back(*p); } contourAndDrawGaussians(drawer,locs,heights,widths,nContours,levels,ps); }; void ContourAndDrawGaussians( RDKit::MolDraw2D &drawer, const std::vector &p_locs, const std::vector &heights, const std::vector &widths, size_t nContours = 10, const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){ std::vector locs; locs.reserve(p_locs.size()); for(const auto *p : p_locs){ locs.push_back(*p); } contourAndDrawGaussians(drawer,locs,heights,widths,nContours,ps); }; void ContourAndDrawGrid( RDKit::MolDraw2D &drawer, const std::vector &p_grid, const std::vector &xcoords, const std::vector &ycoords, size_t nContours, std::vector &levels, const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){ contourAndDrawGrid(drawer,p_grid.data(),xcoords,ycoords,nContours,levels,ps); }; void ContourAndDrawGrid( RDKit::MolDraw2D &drawer, const std::vector &p_grid, const std::vector &xcoords, const std::vector &ycoords, size_t nContours=10, const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){ contourAndDrawGrid(drawer,p_grid.data(),xcoords,ycoords,nContours,ps); }; %}