RDKit
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MolDraw2DCairo.h
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1 //
2 // Copyright (C) 2015 Greg Landrum
3 //
4 // @@ All Rights Reserved @@
5 // This file is part of the RDKit.
6 // The contents are covered by the terms of the BSD license
7 // which is included in the file license.txt, found at the root
8 // of the RDKit source tree.
9 //
10 // derived from Dave Cosgrove's MolDraw2D
11 //
12 // This is a concrete class derived from MolDraw2D that uses RDKit to draw a
13 // molecule into a cairo drawing context
14 
15 #ifndef MOLDRAW2DCAIRO_H
16 #define MOLDRAW2DCAIRO_H
17 
19 #include <cairo.h>
20 
21 // ****************************************************************************
22 
23 namespace RDKit {
24 
25 class MolDraw2DCairo : public MolDraw2D {
26  public:
27  // does not take ownership of the drawing context
28  MolDraw2DCairo(int width, int height, cairo_t *cr)
29  : MolDraw2D(width, height), dp_cr(cr) {
30  cairo_reference(dp_cr);
31  initDrawing();
32  };
33  MolDraw2DCairo(int width, int height) : MolDraw2D(width, height) {
34  cairo_surface_t *surf =
35  cairo_image_surface_create(CAIRO_FORMAT_ARGB32, width, height);
36  dp_cr = cairo_create(surf);
37  cairo_surface_destroy(surf); // dp_cr has a reference to this now;
38  initDrawing();
39  };
41  if (dp_cr) {
42  if (cairo_get_reference_count(dp_cr) > 0) {
43  cairo_destroy(dp_cr);
44  }
45  dp_cr = NULL;
46  }
47  }
48 
49  // set font size in molecule coordinate units. That's probably Angstrom for
50  // RDKit. It will turned into drawing units using scale_, which might be
51  // changed as a result, to make sure things still appear in the window.
52  void setFontSize(double new_size);
53  void setColour(const DrawColour &col);
54 
55  // not sure if this goes here or if we should do a dtor since initDrawing() is
56  // called in the ctor,
57  // but we'll start here
58  void finishDrawing();
59 
60  void drawLine(const Point2D &cds1, const Point2D &cds2);
61  void drawChar(char c, const Point2D &cds);
62  // void drawString( const std::string &str, const Point2D &cds );
63  void drawPolygon(const std::vector<Point2D> &cds);
64  void clearDrawing();
65 
66  // using the current scale, work out the size of the label in molecule
67  // coordinates
68  void getStringSize(const std::string &label, double &label_width,
69  double &label_height) const;
70 
71  // returns the PNG data in a string
72  std::string getDrawingText() const;
73  // writes the PNG data to a file
74  void writeDrawingText(const std::string &fName) const;
75 
76  private:
77  cairo_t *dp_cr;
78 
79  void initDrawing();
80 };
81 }
82 #endif // MOLDRAW2DCAIRO_H
void drawChar(char c, const Point2D &cds)
virtual int height() const
Definition: MolDraw2D.h:129
void setFontSize(double new_size)
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
void drawPolygon(const std::vector< Point2D > &cds)
MolDraw2DCairo(int width, int height, cairo_t *cr)
void setColour(const DrawColour &col)
MolDraw2DCairo(int width, int height)
virtual int width() const
Definition: MolDraw2D.h:128
std::string getDrawingText() const
void drawLine(const Point2D &cds1, const Point2D &cds2)
void getStringSize(const std::string &label, double &label_width, double &label_height) const
void writeDrawingText(const std::string &fName) const
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37