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 #include <RDGeneral/export.h>
14 #ifndef MOLDRAW2DQT_H
15 #define MOLDRAW2DQT_H
16 
17 #include "MolDraw2D.h"
18 
19 class QPainter;
20 class QString;
21 
22 // ****************************************************************************
23 
24 namespace RDKit {
25 
27  public:
28  MolDraw2DQt(int width, int height, QPainter &qp, int panelWidth = -1,
29  int panelHeight = -1);
30 
31  // set font size in molecule coordinate units. That's probably Angstrom for
32  // RDKit. It will turned into drawing units using scale_, which might be
33  // changed as a result, to make sure things still appear in the window.
34  void setFontSize(double new_size);
35  void setColour(const DrawColour &col);
36 
37  void drawLine(const Point2D &cds1, const Point2D &cds2);
38  void drawChar(char c, const Point2D &cds);
39  void drawPolygon(const std::vector<Point2D> &cds);
40  void clearDrawing();
41 
42  // using the current scale, work out the size of the label in molecule
43  // coordinates
44  void getStringSize(const std::string &label, double &label_width,
45  double &label_height) const;
46 
47  private:
48  QPainter &qp_;
49 };
50 }
51 #endif // MOLDRAW2DQT_H
Std stuff.
Definition: Atom.h:30
MolDraw2D is the base class for doing 2D renderings of molecules.
Definition: MolDraw2D.h:133
#define RDKIT_MOLDRAW2D_EXPORT
Definition: export.h:385
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:39