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MolDraw2DCairo.h
Go to the documentation of this file.
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//
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// Copyright (C) 2015 Greg Landrum
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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// derived from Dave Cosgrove's MolDraw2D
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//
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// This is a concrete class derived from MolDraw2D that uses RDKit to draw a
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// molecule into a cairo drawing context
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#include <
RDGeneral/export.h
>
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#ifndef MOLDRAW2DCAIRO_H
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#define MOLDRAW2DCAIRO_H
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#include <cairo.h>
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#include <
GraphMol/MolDraw2D/MolDraw2D.h
>
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// ****************************************************************************
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namespace
RDKit
{
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class
RDKIT_MOLDRAW2D_EXPORT
MolDraw2DCairo
:
public
MolDraw2D
{
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public
:
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// does not take ownership of the drawing context
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MolDraw2DCairo
(
int
width
,
int
height
, cairo_t *cr,
int
panelWidth
= -1,
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int
panelHeight
= -1,
bool
noFreetype =
false
)
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:
MolDraw2D
(
width
,
height
,
panelWidth
,
panelHeight
), dp_cr(cr) {
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cairo_reference(dp_cr);
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df_noFreetype = noFreetype;
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initTextDrawer(noFreetype);
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}
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MolDraw2DCairo
(
int
width
,
int
height
,
int
panelWidth
= -1,
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int
panelHeight
= -1,
bool
noFreetype =
false
)
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:
MolDraw2D
(
width
,
height
,
panelWidth
,
panelHeight
), dp_cr(nullptr) {
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if
(
width
> 0 &&
height
> 0) {
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initDrawing();
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needs_init_
=
false
;
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}
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initTextDrawer(noFreetype);
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df_noFreetype = noFreetype;
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}
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MolDraw2DCairo
(
const
MolDraw2DCairo
&) =
delete
;
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MolDraw2DCairo
(
MolDraw2DCairo
&&) =
delete
;
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MolDraw2DCairo
&
operator=
(
const
MolDraw2DCairo
&) =
delete
;
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MolDraw2DCairo
&
operator=
(
MolDraw2DCairo
&&) =
delete
;
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~MolDraw2DCairo
() {
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if
(dp_cr) {
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if
(cairo_get_reference_count(dp_cr) > 0) {
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cairo_destroy(dp_cr);
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}
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dp_cr =
nullptr
;
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}
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}
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void
setColour
(
const
DrawColour
&col)
override
;
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// not sure if this goes here or if we should do a dtor since initDrawing() is
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// called in the ctor,
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// but we'll start here
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void
finishDrawing
();
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void
drawLine
(
const
Point2D
&cds1,
const
Point2D
&cds2,
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bool
rawCoords =
false
)
override
;
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// void drawString( const std::string &str, const Point2D &cds );
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void
drawPolygon
(
const
std::vector<Point2D> &cds,
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bool
rawCoords =
false
)
override
;
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void
clearDrawing
()
override
;
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void
drawWavyLine
(
const
Point2D
&cds1,
const
Point2D
&cds2,
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const
DrawColour
&col1,
const
DrawColour
&col2,
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unsigned
int
nSegments = 16,
double
vertOffset = 0.05,
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bool
rawCoords =
false
)
override
;
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// returns the PNG data in a string
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std::string
getDrawingText
()
const
;
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// writes the PNG data to a file
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void
writeDrawingText
(
const
std::string &fName)
const
;
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#if defined(WIN32) && !defined(RDK_BUILD_FREETYPE_SUPPORT)
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bool
supportsAnnotations
()
const override
{
return
false
; }
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#endif
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private
:
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cairo_t *dp_cr =
nullptr
;
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bool
df_noFreetype =
false
;
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void
updateMetadata(
const
ROMol
&mol,
int
confId)
override
;
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void
updateMetadata(
const
ChemicalReaction
&rxn)
override
;
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void
initDrawing()
override
;
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void
initTextDrawer(
bool
noFreetype)
override
;
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std::string addMetadataToPNG(
const
std::string &png)
const
;
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void
updateMetadata(
const
ROMol
&mol)
const
;
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void
updateMetadata(
const
ChemicalReaction
&rxn)
const
;
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};
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}
// namespace RDKit
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#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:344
export.h
RDKIT_MOLDRAW2D_EXPORT
#define RDKIT_MOLDRAW2D_EXPORT
Definition
export.h:401
RDKit
Std stuff.
Definition
Abbreviations.h:19
RDKit::DrawColour
Definition
MolDraw2DHelpers.h:40
GraphMol
MolDraw2D
MolDraw2DCairo.h
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