MolDraw2DCairo.h
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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 a cairo drawing context
#ifndef MOLDRAW2DCAIRO_H
#define MOLDRAW2DCAIRO_H
#include <GraphMol/MolDraw2D/MolDraw2D.h>
#include <cairo.h>
// ****************************************************************************
namespace RDKit {
class MolDraw2DCairo : public MolDraw2D {
public:
// does not take ownership of the drawing context
MolDraw2DCairo(int width, int height, cairo_t *cr)
: MolDraw2D(width, height), dp_cr(cr) {
cairo_reference(dp_cr);
initDrawing();
};
MolDraw2DCairo(int width, int height) : MolDraw2D(width, height) {
cairo_surface_t *surf =
cairo_image_surface_create(CAIRO_FORMAT_ARGB32, width, height);
dp_cr = cairo_create(surf);
cairo_surface_destroy(surf); // dp_cr has a reference to this now;
initDrawing();
};
~MolDraw2DCairo() {
if (dp_cr) {
if (cairo_get_reference_count(dp_cr) > 0) {
cairo_destroy(dp_cr);
}
dp_cr = NULL;
}
}
// 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 drawChar(char c, const Point2D &cds);
// void drawString( const std::string &str, const Point2D &cds );
void drawPolygon(const std::vector<Point2D> &cds);
void clearDrawing();
// 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;
// returns the PNG data in a string
std::string getDrawingText() const;
// writes the PNG data to a file
void writeDrawingText(const std::string &fName) const;
private:
cairo_t *dp_cr;
void initDrawing();
};
}
#endif // MOLDRAW2DCAIRO_H
RDKit::MolDraw2DCairo::drawChar
void drawChar(char c, const Point2D &cds)
RDKit::MolDraw2D::height
virtual int height() const
Definition: MolDraw2D.h:129
RDKit::MolDraw2DCairo
Definition: MolDraw2DCairo.h:25
RDKit::MolDraw2DCairo::clearDrawing
void clearDrawing()
RDGeom::Point2D
Definition: point.h:254
RDKit::MolDraw2DCairo::setFontSize
void setFontSize(double new_size)
MolDraw2D.h
RDKit::MolDraw2DCairo::~MolDraw2DCairo
~MolDraw2DCairo()
Definition: MolDraw2DCairo.h:40
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::MolDraw2DCairo::finishDrawing
void finishDrawing()
RDKit::MolDraw2DCairo::drawPolygon
void drawPolygon(const std::vector< Point2D > &cds)
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(int width, int height, cairo_t *cr)
Definition: MolDraw2DCairo.h:28
RDKit::MolDraw2DCairo::setColour
void setColour(const DrawColour &col)
RDKit::MolDraw2D
Definition: MolDraw2D.h:76
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(int width, int height)
Definition: MolDraw2DCairo.h:33
RDKit::MolDraw2D::width
virtual int width() const
Definition: MolDraw2D.h:128
RDKit::MolDraw2DCairo::getDrawingText
std::string getDrawingText() const
RDKit::MolDraw2DCairo::drawLine
void drawLine(const Point2D &cds1, const Point2D &cds2)
RDKit::MolDraw2DCairo::getStringSize
void getStringSize(const std::string &label, double &label_width, double &label_height) const
RDKit::MolDraw2DCairo::writeDrawingText
void writeDrawingText(const std::string &fName) const
RDKit::DrawColour
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37