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 #include <RDGeneral/export.h>
16 #ifndef MOLDRAW2DCAIRO_H
17 #define MOLDRAW2DCAIRO_H
18 
19 #include <cairo.h>
20 
22 
23 // ****************************************************************************
24 
25 namespace RDKit {
26 
28  public:
29  // does not take ownership of the drawing context
30  MolDraw2DCairo(int width, int height, cairo_t *cr, int panelWidth = -1,
31  int panelHeight = -1, bool noFreetype = false)
32  : MolDraw2D(width, height, panelWidth, panelHeight), dp_cr(cr) {
33  cairo_reference(dp_cr);
34  df_noFreetype = noFreetype;
35  initTextDrawer(noFreetype);
36  }
37  MolDraw2DCairo(int width, int height, int panelWidth = -1,
38  int panelHeight = -1, bool noFreetype = false)
39  : MolDraw2D(width, height, panelWidth, panelHeight), dp_cr(nullptr) {
40  initTextDrawer(noFreetype);
41  df_noFreetype = noFreetype;
42  }
43  MolDraw2DCairo(const MolDraw2DCairo &) = delete;
48  if (dp_cr) {
49  if (cairo_get_reference_count(dp_cr) > 0) {
50  cairo_destroy(dp_cr);
51  }
52  dp_cr = nullptr;
53  }
54  }
55 
56  void setColour(const DrawColour &col) override;
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  bool rawCoords = false) override;
65  // void drawString( const std::string &str, const Point2D &cds );
66  void drawPolygon(const std::vector<Point2D> &cds,
67  bool rawCoords = false) override;
68  void clearDrawing() override;
69 
70  void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
71  const DrawColour &col1, const DrawColour &col2,
72  unsigned int nSegments = 16, double vertOffset = 0.05,
73  bool rawCoords = false) override;
74 
75  // returns the PNG data in a string
76  std::string getDrawingText() const;
77  // writes the PNG data to a file
78  void writeDrawingText(const std::string &fName) const;
79 
80 #if defined(WIN32) && !defined(RDK_BUILD_FREETYPE_SUPPORT)
81  bool supportsAnnotations() const override { return false; }
82 #endif
83 
84  private:
85  cairo_t *dp_cr = nullptr;
86  bool df_noFreetype = false;
87 
88  void updateMetadata(const ROMol &mol, int confId) override;
89  void updateMetadata(const ChemicalReaction &rxn) override;
90 
91  void initDrawing() override;
92  void initTextDrawer(bool noFreetype) override;
93  std::string addMetadataToPNG(const std::string &png) const;
94  void updateMetadata(const ROMol &mol) const;
95  void updateMetadata(const ChemicalReaction &rxn) const;
96 };
97 } // namespace RDKit
98 #endif // MOLDRAW2DCAIRO_H
This is a class for storing and applying general chemical reactions.
Definition: Reaction.h:121
void setColour(const DrawColour &col) override
sets the current draw color
MolDraw2DCairo & operator=(MolDraw2DCairo &&)=delete
void clearDrawing() override
clears the contents of the drawing
MolDraw2DCairo(const MolDraw2DCairo &)=delete
MolDraw2DCairo & operator=(const MolDraw2DCairo &)=delete
void writeDrawingText(const std::string &fName) const
void drawPolygon(const std::vector< Point2D > &cds, bool rawCoords=false) override
void drawWavyLine(const Point2D &cds1, const Point2D &cds2, const DrawColour &col1, const DrawColour &col2, unsigned int nSegments=16, double vertOffset=0.05, bool rawCoords=false) override
draw a wavy line like that used to indicate unknown stereochemistry
MolDraw2DCairo(int width, int height, int panelWidth=-1, int panelHeight=-1, bool noFreetype=false)
std::string getDrawingText() const
MolDraw2DCairo(MolDraw2DCairo &&)=delete
void drawLine(const Point2D &cds1, const Point2D &cds2, bool rawCoords=false) override
MolDraw2DCairo(int width, int height, cairo_t *cr, int panelWidth=-1, int panelHeight=-1, bool noFreetype=false)
MolDraw2D is the base class for doing 2D renderings of molecules.
Definition: MolDraw2D.h:47
#define RDKIT_MOLDRAW2D_EXPORT
Definition: export.h:273
Std stuff.
Definition: Abbreviations.h:18