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//
// Copyright (C) 2015 Greg Landrum
//
// @@ 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 "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)
: MolDraw2D(width, height, panelWidth, panelHeight), d_os(os) {
initDrawing();
};
// initialize to use the internal stringstream
MolDraw2DSVG(int width, int height, int panelWidth = -1, int panelHeight = -1)
: MolDraw2D(width, height, panelWidth, panelHeight), d_os(d_ss) {
initDrawing();
};
// set font size in molecule coordinate units. That's probably Angstrom for
// RDKit. It will turned into drawing units using scale_, which might be
// changed as a result, to make sure things still appear in the window.
void setFontSize(double new_size);
void setColour(const DrawColour &col);
// 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);
void drawString(const std::string &str, const Point2D &cds);
void drawPolygon(const std::vector<Point2D> &cds);
void drawEllipse(const Point2D &cds1, const Point2D &cds2);
void clearDrawing();
void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
const DrawColour &col1, const DrawColour &col2,
unsigned int nSegments = 16, double vertOffset = 0.05);
// using the current scale, work out the size of the label in molecule
// coordinates
void getStringSize(const std::string &label, double &label_width,
double &label_height) const;
// this only makes sense if the object was initialized without a stream
std::string getDrawingText() const { return d_ss.str(); };
void tagAtoms(const ROMol &mol);
void addMoleculeMetadata(const ROMol &mol, int confId = -1) const;
void addMoleculeMetadata(const std::vector<ROMol *> &mols,
const std::vector<int> confIds = {}) const;
private:
std::ostream &d_os;
std::stringstream d_ss;
void drawChar(char c, const Point2D &cds);
void initDrawing();
};
} // namespace RDKit
#endif // MOLDRAW2DSVG_H
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