MolDraw2DSVG.h

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//
//  Copyright (C) 2015-2021 Greg Landrum and other RDKit contributors
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
// derived from Dave Cosgrove's MolDraw2D
//
// This is a concrete class derived from MolDraw2D that uses RDKit to draw a
// molecule into an SVG file
 
#include <RDGeneral/export.h>
#ifndef MOLDRAW2DSVG_H
#define MOLDRAW2DSVG_H
 
#include <iostream>
#include <sstream>
#include <GraphMol/MolDraw2D/MolDraw2D.h>
 
// ****************************************************************************
 
namespace RDKit {
 
class RDKIT_MOLDRAW2D_EXPORT MolDraw2DSVG : public MolDraw2D {
 public:
  // initialize to use a particular ostream
  MolDraw2DSVG(int width, int height, std::ostream &os, int panelWidth = -1,
               int panelHeight = -1, bool noFreetype = false);
 
  // initialize to use the internal stringstream
  MolDraw2DSVG(int width, int height, int panelWidth = -1, int panelHeight = -1,
               bool noFreetype = false);
  MolDraw2DSVG(const MolDraw2DSVG &) = delete;
  MolDraw2DSVG(MolDraw2DSVG &&) = delete;
  MolDraw2DSVG &operator=(const MolDraw2DSVG &) = delete;
  MolDraw2DSVG &operator=(MolDraw2DSVG &&) = delete;
 
  void setColour(const DrawColour &col) override;
 
  // not sure if this goes here or if we should do a dtor since initDrawing() is
  // called in the ctor,
  // but we'll start here
  void finishDrawing();
 
  void drawLine(const Point2D &cds1, const Point2D &cds2,
                bool rawCoords = false) override;
  void drawPolygon(const std::vector<Point2D> &cds,
                   bool rawCoords = false) override;
  void drawEllipse(const Point2D &cds1, const Point2D &cds2,
                   bool rawCoords = false) override;
  void clearDrawing() override;
 
  void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
                    const DrawColour &col1, const DrawColour &col2,
                    unsigned int nSegments = 16, double vertOffset = 0.05,
                    bool rawCoords = false) override;
 
  // this only makes sense if the object was initialized without a stream
  std::string getDrawingText() const { return d_ss.str(); }
 
  // adds additional tags to the atoms and bonds in the SVG. This should be
  // invoked *after* the molecule has been drawn
  using MolDraw2D::tagAtoms;  // Avoid overload warning.
  void tagAtoms(const ROMol &mol) override { tagAtoms(mol, 0.2); }
  void tagAtoms(const ROMol &mol, double radius,
                const std::map<std::string, std::string> &events = {});
 
  // adds metadata describing the molecule to the SVG. This allows
  // molecules to be re-built from SVG with MolFromSVG
  void addMoleculeMetadata(const ROMol &mol, int confId = -1) const;
  void addMoleculeMetadata(const std::vector<ROMol *> &mols,
                           const std::vector<int> confIds = {});
 
 private:
  std::ostream &d_os;
  std::stringstream d_ss;
 
  void initDrawing() override;
  void initTextDrawer(bool noFreetype) override;
 
  void outputClasses();
};
 
}  // namespace RDKit
#endif  // MOLDRAW2DSVG_H