RDKit: MolDraw2DCairo.h Source File

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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
21#include <GraphMol/MolDraw2D/MolDraw2D.h>
22
23// ****************************************************************************
24
25namespace RDKit {
26
27 class RDKIT_MOLDRAW2D_EXPORT MolDraw2DCairo : public MolDraw2D {
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;
48 MolDraw2DCairo(MolDraw2DCairo &&) = delete;
49 MolDraw2DCairo &operator=(const MolDraw2DCairo &) = delete;
50 MolDraw2DCairo &operator=(MolDraw2DCairo &&) = delete;
51 ~MolDraw2DCairo() {
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
MolDraw2D.h
RDGeom::Point2D
Definition point.h:284
RDKit::ChemicalReaction
This is a class for storing and applying general chemical reactions.
Definition Reaction.h:121
RDKit::MolDraw2DCairo::setColour
void setColour(const DrawColour &col) override
sets the current draw color
RDKit::MolDraw2DCairo::operator=
MolDraw2DCairo & operator=(MolDraw2DCairo &&)=delete
RDKit::MolDraw2DCairo::clearDrawing
void clearDrawing() override
clears the contents of the drawing
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(const MolDraw2DCairo &)=delete
RDKit::MolDraw2DCairo::writeDrawingText
void writeDrawingText(const std::string &fName) const
RDKit::MolDraw2DCairo::~MolDraw2DCairo
~MolDraw2DCairo()
Definition MolDraw2DCairo.h:51
RDKit::MolDraw2DCairo::drawPolygon
void drawPolygon(const std::vector< Point2D > &cds, bool rawCoords=false) override
RDKit::MolDraw2DCairo::drawWavyLine
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
RDKit::MolDraw2DCairo::finishDrawing
void finishDrawing()
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(int width, int height, int panelWidth=-1, int panelHeight=-1, bool noFreetype=false)
Definition MolDraw2DCairo.h:37
RDKit::MolDraw2DCairo::operator=
MolDraw2DCairo & operator=(const MolDraw2DCairo &)=delete
RDKit::MolDraw2DCairo::getDrawingText
std::string getDrawingText() const
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(MolDraw2DCairo &&)=delete
RDKit::MolDraw2DCairo::drawLine
void drawLine(const Point2D &cds1, const Point2D &cds2, bool rawCoords=false) override
RDKit::MolDraw2DCairo::MolDraw2DCairo
MolDraw2DCairo(int width, int height, cairo_t *cr, int panelWidth=-1, int panelHeight=-1, bool noFreetype=false)
Definition MolDraw2DCairo.h:30
RDKit::MolDraw2D::panelHeight
int panelHeight() const
return the height of the drawing panels.
Definition MolDraw2D.h:338
RDKit::MolDraw2D::needs_init_
bool needs_init_
Definition MolDraw2D.h:448
RDKit::MolDraw2D::MolDraw2D
MolDraw2D(int width, int height, int panelWidth, int panelHeight)
constructor for a particular size
RDKit::MolDraw2D::height
int height() const
return the height of the drawing area.
Definition MolDraw2D.h:334
RDKit::MolDraw2D::supportsAnnotations
virtual bool supportsAnnotations() const
Definition MolDraw2D.h:428
RDKit::MolDraw2D::panelWidth
int panelWidth() const
return the width of the drawing panels.
Definition MolDraw2D.h:336
RDKit::MolDraw2D::width
int width() const
return the width of the drawing area.
Definition MolDraw2D.h:332
RDKit::ROMol
Definition ROMol.h:199
export.h
RDKIT_MOLDRAW2D_EXPORT
#define RDKIT_MOLDRAW2D_EXPORT
Definition export.h:313
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::DrawColour
Definition MolDraw2DHelpers.h:40