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3d5a3f2af1
- remove redundant Point2D_Vect definition (laready defined elsewhere) - blacklist getPositions() whose return type is not accessible from SWIG Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
166 lines
6.4 KiB
OpenEdge ABL
166 lines
6.4 KiB
OpenEdge ABL
/*
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*
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* Copyright (c) 2015, Novartis Institutes for BioMedical Research Inc.
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* All rights reserved.
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*
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* Redistribution and use in source and binary forms, with or without
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* modification, are permitted provided that the following conditions are
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* met:
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*
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* * Redistributions of source code must retain the above copyright
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* notice, this list of conditions and the following disclaimer.
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* * Redistributions in binary form must reproduce the above
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* copyright notice, this list of conditions and the following
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* disclaimer in the documentation and/or other materials provided
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* with the distribution.
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* * Neither the name of Novartis Institutes for BioMedical Research Inc.
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* nor the names of its contributors may be used to endorse or promote
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* products derived from this software without specific prior written permission.
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*
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
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* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
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* OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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* SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
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* LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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* DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
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* THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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*/
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%include "std_vector.i"
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%include "std_map.i"
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%include "std_pair.i"
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%include "std_tuple.i"
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%{
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#include <GraphMol/RDKitBase.h>
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#include <GraphMol/MolDraw2D/MolDraw2DHelpers.h>
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#include <GraphMol/MolDraw2D/MolDraw2D.h>
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#include <GraphMol/MolDraw2D/MolDraw2DSVG.h>
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#include <GraphMol/MolDraw2D/MolDraw2DUtils.h>
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#include <map>
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#include <vector>
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#include <utility>
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%}
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#ifdef RDK_BUILD_CAIRO_SUPPORT
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%{
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#include <GraphMol/MolDraw2D/MolDraw2DCairo.h>
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%}
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#endif
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%template(Int_String_Map) std::map< int, std::string >;
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%template(ColourPalette) std::map< int, RDKit::DrawColour >;
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%template(Colour_Vect) std::vector< RDKit::DrawColour >;
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%template(MultipleColourPalette) std::map< int, std::vector< RDKit::DrawColour > >;
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%template(Int_Double_Map) std::map< int, double >;
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%template(Float_Pair) std::pair<float,float>;
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%template(Float_Pair_Vect) std::vector< std::pair<float,float> >;
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%template(ROMol_Ptr_Vect) std::vector<RDKit::ROMol*>;
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%template(ColourPalette_Vect) std::vector< std::map< int, RDKit::DrawColour > >;
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%template(Int_Double_Map_Vect) std::vector< std::map< int, double > >;
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%ignore RDKit::MolDraw2DSVG::MolDraw2DSVG(int,int,std::ostream &);
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%ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians(
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MolDraw2D &, const std::vector<Point2D> &,
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const std::vector<double> &, const std::vector<double> &,
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size_t, std::vector<double> &,
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const ContourParams &);
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%ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians(
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MolDraw2D &, const std::vector<Point2D> &,
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const std::vector<double> &, const std::vector<double> &,
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size_t, ContourParams &);
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%ignore RDKit::MolDraw2DUtils::contourAndDrawGaussians;
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%ignore RDKit::MolDraw2DUtils::contourAndDrawGrid;
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%include <GraphMol/MolDraw2D/MolDraw2DHelpers.h>
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%include <GraphMol/MolDraw2D/MolDraw2D.h>
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%include <GraphMol/MolDraw2D/MolDraw2DSVG.h>
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#ifdef RDK_BUILD_CAIRO_SUPPORT
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#ifdef SWIGJAVA
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%typemap(jni) std::string RDKit::MolDraw2DCairo::toByteArray "jbyteArray"
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%typemap(jtype) std::string RDKit::MolDraw2DCairo::toByteArray "byte[]"
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%typemap(jstype) std::string RDKit::MolDraw2DCairo::toByteArray "byte[]"
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%typemap(javaout) std::string RDKit::MolDraw2DCairo::toByteArray {
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return $jnicall;
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}
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%typemap(out) std::string RDKit::MolDraw2DCairo::toByteArray {
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$result = JCALL1(NewByteArray, jenv, $1.size());
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JCALL4(SetByteArrayRegion, jenv, $result, 0, $1.size(), (const jbyte*)$1.c_str());
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}
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#endif
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#ifdef SWIGCSHARP
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%template(UChar_Vect) std::vector<unsigned char>;
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#endif
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%include <GraphMol/MolDraw2D/MolDraw2DCairo.h>
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#ifdef SWIGJAVA
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%extend RDKit::MolDraw2DCairo {
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const std::string toByteArray() {
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return ($self)->getDrawingText();
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}
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}
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#endif
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#ifdef SWIGCSHARP
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%extend RDKit::MolDraw2DCairo {
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const std::vector<unsigned char> getImage() {
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const auto text = ($self)->getDrawingText();
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const std::vector<unsigned char> image(text.begin(), text.end());
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return image;
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}
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};
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#endif
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#endif // RDK_BUILD_CAIRO_SUPPORT
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%include <GraphMol/MolDraw2D/MolDraw2DUtils.h>
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%inline %{
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void ContourAndDrawGaussians(
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RDKit::MolDraw2D &drawer, const std::vector<RDGeom::Point2D *> &p_locs,
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const std::vector<double> &heights, const std::vector<double> &widths,
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size_t nContours, std::vector<double> &levels,
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const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){
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std::vector<Point2D> locs;
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locs.reserve(p_locs.size());
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for(const auto *p : p_locs){
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locs.push_back(*p);
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}
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contourAndDrawGaussians(drawer,locs,heights,widths,nContours,levels,ps);
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};
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void ContourAndDrawGaussians(
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RDKit::MolDraw2D &drawer, const std::vector<RDGeom::Point2D *> &p_locs,
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const std::vector<double> &heights, const std::vector<double> &widths,
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size_t nContours = 10,
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const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){
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std::vector<Point2D> locs;
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locs.reserve(p_locs.size());
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for(const auto *p : p_locs){
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locs.push_back(*p);
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}
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contourAndDrawGaussians(drawer,locs,heights,widths,nContours,ps);
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};
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void ContourAndDrawGrid(
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RDKit::MolDraw2D &drawer, const std::vector<double> &p_grid,
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const std::vector<double> &xcoords, const std::vector<double> &ycoords,
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size_t nContours, std::vector<double> &levels,
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const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){
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contourAndDrawGrid(drawer,p_grid.data(),xcoords,ycoords,nContours,levels,ps);
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};
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void ContourAndDrawGrid(
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RDKit::MolDraw2D &drawer, const std::vector<double> &p_grid,
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const std::vector<double> &xcoords, const std::vector<double> &ycoords,
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size_t nContours=10,
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const RDKit::MolDraw2DUtils::ContourParams &ps = RDKit::MolDraw2DUtils::ContourParams()){
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contourAndDrawGrid(drawer,p_grid.data(),xcoords,ycoords,nContours,ps);
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};
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%}
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