RDKit
Open-source cheminformatics and machine learning.
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  MolDraw2DCairo( int width , int height ) :
33  MolDraw2D( width , height ) {
34  cairo_surface_t *surf = cairo_image_surface_create (CAIRO_FORMAT_ARGB32, width, height);
35  dp_cr = cairo_create(surf);
36  cairo_surface_destroy (surf); // dp_cr has a reference to this now;
37  initDrawing();
38  };
40  if(dp_cr) {
41  if(cairo_get_reference_count(dp_cr)>0){
42  cairo_destroy(dp_cr);
43  }
44  dp_cr=NULL;
45  }
46  }
47 
48  // set font size in molecule coordinate units. That's probably Angstrom for
49  // RDKit. It will turned into drawing units using scale_, which might be
50  // changed as a result, to make sure things still appear in the window.
51  void setFontSize( double new_size );
52  void setColour( const DrawColour &col );
53 
54  // not sure if this goes here or if we should do a dtor since initDrawing() is called in the ctor,
55  // but we'll start here
56  void finishDrawing();
57 
58  void drawLine( const Point2D &cds1 ,
59  const Point2D &cds2 );
60  void drawChar( char c , const Point2D &cds );
61  //void drawString( const std::string &str, const Point2D &cds );
62  void drawPolygon( const std::vector<Point2D > &cds );
63  void clearDrawing();
64 
65  // using the current scale, work out the size of the label in molecule coordinates
66  void getStringSize( const std::string &label , double &label_width ,
67  double &label_height ) const;
68 
69  // returns the PNG data in a string
70  std::string getDrawingText() const;
71  // writes the PNG data to a file
72  void writeDrawingText(const std::string &fName) const;
73 
74  private :
75  cairo_t *dp_cr;
76 
77  void initDrawing();
78  };
79 
80 }
81 #endif // MOLDRAW2DCAIRO_H
void drawChar(char c, const Point2D &cds)
virtual int height() const
Definition: MolDraw2D.h:95
std::string getDrawingText() const
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37
void setFontSize(double new_size)
void getStringSize(const std::string &label, double &label_width, double &label_height) const
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
virtual int width() const
Definition: MolDraw2D.h:94
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)
void drawLine(const Point2D &cds1, const Point2D &cds2)
void writeDrawingText(const std::string &fName) const