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  if (width > 0 && height > 0) {
41  initDrawing();
42  needs_init_ = false;
43  }
44  initTextDrawer(noFreetype);
45  df_noFreetype = noFreetype;
46  }
47  MolDraw2DCairo(const MolDraw2DCairo &) = delete;
52  if (dp_cr) {
53  if (cairo_get_reference_count(dp_cr) > 0) {
54  cairo_destroy(dp_cr);
55  }
56  dp_cr = nullptr;
57  }
58  }
59 
60  void setColour(const DrawColour &col) override;
61 
62  // not sure if this goes here or if we should do a dtor since initDrawing() is
63  // called in the ctor,
64  // but we'll start here
65  void finishDrawing();
66 
67  void drawLine(const Point2D &cds1, const Point2D &cds2,
68  bool rawCoords = false) override;
69  // void drawString( const std::string &str, const Point2D &cds );
70  void drawPolygon(const std::vector<Point2D> &cds,
71  bool rawCoords = false) override;
72  void clearDrawing() override;
73 
74  void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
75  const DrawColour &col1, const DrawColour &col2,
76  unsigned int nSegments = 16, double vertOffset = 0.05,
77  bool rawCoords = false) override;
78 
79  // returns the PNG data in a string
80  std::string getDrawingText() const;
81  // writes the PNG data to a file
82  void writeDrawingText(const std::string &fName) const;
83 
84 #if defined(WIN32) && !defined(RDK_BUILD_FREETYPE_SUPPORT)
85  bool supportsAnnotations() const override { return false; }
86 #endif
87 
88  private:
89  cairo_t *dp_cr = nullptr;
90  bool df_noFreetype = false;
91 
92  void updateMetadata(const ROMol &mol, int confId) override;
93  void updateMetadata(const ChemicalReaction &rxn) override;
94 
95  void initDrawing() override;
96  void initTextDrawer(bool noFreetype) override;
97  std::string addMetadataToPNG(const std::string &png) const;
98  void updateMetadata(const ROMol &mol) const;
99  void updateMetadata(const ChemicalReaction &rxn) const;
100 };
101 } // namespace RDKit
102 #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:281
Std stuff.
Definition: Abbreviations.h:19