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
25namespace 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
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
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)
MolDraw2DCairo & operator=(const MolDraw2DCairo &)=delete
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