RDKit
Open-source cheminformatics and machine learning.
MolDraw2DQt.h
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1 //
2 // @@ All Rights Reserved @@
3 // This file is part of the RDKit.
4 // The contents are covered by the terms of the BSD license
5 // which is included in the file license.txt, found at the root
6 // of the RDKit source tree.
7 //
8 // Original author: David Cosgrove (AstraZeneca)
9 //
10 // This is a concrete class derived from MolDraw2D that uses RDKit to draw a
11 // molecule into a QPainter.
12 
13 #ifndef MOLDRAW2DQT_H
14 #define MOLDRAW2DQT_H
15 
16 #include "MolDraw2D.h"
17 
18 class QPainter;
19 class QString;
20 
21 // ****************************************************************************
22 
23 namespace RDKit {
24 
25 class MolDraw2DQt : public MolDraw2D {
26  public:
27  MolDraw2DQt(int width, int height, QPainter &qp, int panelWidth = -1,
28  panelHeight = -1);
29 
30  // set font size in molecule coordinate units. That's probably Angstrom for
31  // RDKit. It will turned into drawing units using scale_, which might be
32  // changed as a result, to make sure things still appear in the window.
33  void setFontSize(double new_size);
34  void setColour(const DrawColour &col);
35 
36  void drawLine(const Point2D &cds1, const Point2D &cds2);
37  void drawChar(char c, const Point2D &cds);
38  void drawPolygon(const std::vector<Point2D> &cds);
39  void clearDrawing();
40 
41  // using the current scale, work out the size of the label in molecule
42  // coordinates
43  void getStringSize(const std::string &label, double &label_width,
44  double &label_height) const;
45 
46  private:
47  QPainter &qp_;
48 };
49 }
50 #endif // MOLDRAW2DQT_H
virtual int height() const
Definition: MolDraw2D.h:148
void drawLine(const Point2D &cds1, const Point2D &cds2)
void setFontSize(double new_size)
virtual int panelHeight() const
Definition: MolDraw2D.h:150
void drawPolygon(const std::vector< Point2D > &cds)
void setColour(const DrawColour &col)
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29
void drawChar(char c, const Point2D &cds)
virtual int width() const
Definition: MolDraw2D.h:147
MolDraw2DQt(int width, int height, QPainter &qp, int panelWidth=-1, panelHeight=-1)
virtual int panelWidth() const
Definition: MolDraw2D.h:149
void getStringSize(const std::string &label, double &label_width, double &label_height) const
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37