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, int panelWidth = -1,
29  int panelHeight = -1)
30  : MolDraw2D(width, height, panelWidth, panelHeight), dp_cr(cr) {
31  cairo_reference(dp_cr);
32  initDrawing();
33  };
34  MolDraw2DCairo(int width, int height, int panelWidth = -1,
35  int panelHeight = -1)
36  : MolDraw2D(width, height, panelWidth, panelHeight) {
37  cairo_surface_t *surf =
38  cairo_image_surface_create(CAIRO_FORMAT_ARGB32, width, height);
39  dp_cr = cairo_create(surf);
40  cairo_surface_destroy(surf); // dp_cr has a reference to this now;
41  initDrawing();
42  };
44  if (dp_cr) {
45  if (cairo_get_reference_count(dp_cr) > 0) {
46  cairo_destroy(dp_cr);
47  }
48  dp_cr = NULL;
49  }
50  }
51 
52  // set font size in molecule coordinate units. That's probably Angstrom for
53  // RDKit. It will turned into drawing units using scale_, which might be
54  // changed as a result, to make sure things still appear in the window.
55  void setFontSize(double new_size);
56  void setColour(const DrawColour &col);
57 
58  // not sure if this goes here or if we should do a dtor since initDrawing() is
59  // called in the ctor,
60  // but we'll start here
61  void finishDrawing();
62 
63  void drawLine(const Point2D &cds1, const Point2D &cds2);
64  void drawChar(char c, const Point2D &cds);
65  // void drawString( const std::string &str, const Point2D &cds );
66  void drawPolygon(const std::vector<Point2D> &cds);
67  void clearDrawing();
68 
69  void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
70  const DrawColour &col1, const DrawColour &col2,
71  unsigned int nSegments = 16, double vertOffset = 0.05);
72 
73  // using the current scale, work out the size of the label in molecule
74  // coordinates
75  void getStringSize(const std::string &label, double &label_width,
76  double &label_height) const;
77 
78  // returns the PNG data in a string
79  std::string getDrawingText() const;
80  // writes the PNG data to a file
81  void writeDrawingText(const std::string &fName) const;
82 
83  private:
84  cairo_t *dp_cr;
85 
86  void initDrawing();
87 };
88 }
89 #endif // MOLDRAW2DCAIRO_H
void drawWavyLine(const Point2D &cds1, const Point2D &cds2, const DrawColour &col1, const DrawColour &col2, unsigned int nSegments=16, double vertOffset=0.05)
void drawChar(char c, const Point2D &cds)
virtual int height() const
Definition: MolDraw2D.h:148
std::string getDrawingText() const
MolDraw2DCairo(int width, int height, int panelWidth=-1, int panelHeight=-1)
virtual int panelHeight() const
Definition: MolDraw2D.h:150
void setFontSize(double new_size)
void getStringSize(const std::string &label, double &label_width, double &label_height) const
MolDraw2DCairo(int width, int height, cairo_t *cr, int panelWidth=-1, int panelHeight=-1)
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29
virtual int width() const
Definition: MolDraw2D.h:147
void drawPolygon(const std::vector< Point2D > &cds)
virtual int panelWidth() const
Definition: MolDraw2D.h:149
void setColour(const DrawColour &col)
void drawLine(const Point2D &cds1, const Point2D &cds2)
void writeDrawingText(const std::string &fName) const
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37