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MolDraw2DCairo.h
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//
// Copyright (C) 2015 Greg Landrum
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
// derived from Dave Cosgrove's MolDraw2D
//
// This is a concrete class derived from MolDraw2D that uses RDKit to draw a
// molecule into a cairo drawing context
#include <RDGeneral/export.h>
#ifndef MOLDRAW2DCAIRO_H
#define MOLDRAW2DCAIRO_H
#include <cairo.h>
#include <GraphMol/MolDraw2D/MolDraw2D.h>
// ****************************************************************************
namespace RDKit {
class RDKIT_MOLDRAW2D_EXPORT MolDraw2DCairo : public MolDraw2D {
public:
// does not take ownership of the drawing context
MolDraw2DCairo(int width, int height, cairo_t *cr, int panelWidth = -1,
int panelHeight = -1, bool noFreetype = false)
: MolDraw2D(width, height, panelWidth, panelHeight), dp_cr(cr) {
cairo_reference(dp_cr);
df_noFreetype = noFreetype;
initTextDrawer(noFreetype);
}
MolDraw2DCairo(int width, int height, int panelWidth = -1,
int panelHeight = -1, bool noFreetype = false)
: MolDraw2D(width, height, panelWidth, panelHeight), dp_cr(nullptr) {
if (width > 0 && height > 0) {
initDrawing();
needs_init_ = false;
}
initTextDrawer(noFreetype);
df_noFreetype = noFreetype;
}
MolDraw2DCairo(const MolDraw2DCairo &) = delete;
MolDraw2DCairo(MolDraw2DCairo &&) = delete;
MolDraw2DCairo &operator=(const MolDraw2DCairo &) = delete;
MolDraw2DCairo &operator=(MolDraw2DCairo &&) = delete;
~MolDraw2DCairo() {
if (dp_cr) {
if (cairo_get_reference_count(dp_cr) > 0) {
cairo_destroy(dp_cr);
}
dp_cr = nullptr;
}
}
void setColour(const DrawColour &col) override;
// not sure if this goes here or if we should do a dtor since initDrawing() is
// called in the ctor,
// but we'll start here
void finishDrawing();
void drawLine(const Point2D &cds1, const Point2D &cds2,
bool rawCoords = false) override;
// void drawString( const std::string &str, const Point2D &cds );
void drawPolygon(const std::vector<Point2D> &cds,
bool rawCoords = false) override;
void clearDrawing() 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;
// returns the PNG data in a string
std::string getDrawingText() const;
// writes the PNG data to a file
void writeDrawingText(const std::string &fName) const;
#if defined(WIN32) && !defined(RDK_BUILD_FREETYPE_SUPPORT)
bool supportsAnnotations() const override { return false; }
#endif
private:
cairo_t *dp_cr = nullptr;
bool df_noFreetype = false;
void updateMetadata(const ROMol &mol, int confId) override;
void updateMetadata(const ChemicalReaction &rxn) override;
void initDrawing() override;
void initTextDrawer(bool noFreetype) override;
std::string addMetadataToPNG(const std::string &png) const;
void updateMetadata(const ROMol &mol) const;
void updateMetadata(const ChemicalReaction &rxn) const;
};
} // namespace RDKit
#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:122
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:285
export.h
RDKIT_MOLDRAW2D_EXPORT
#define RDKIT_MOLDRAW2D_EXPORT
Definition export.h:321
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::DrawColour
Definition MolDraw2DHelpers.h:40