MolDraw2DSVG.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 an SVG file
#ifndef MOLDRAW2DSVG_H
#define MOLDRAW2DSVG_H
#include <iostream>
#include <sstream>
#include "MolDraw2D.h"
// ****************************************************************************
namespace RDKit {
class MolDraw2DSVG : public MolDraw2D {
public :
// initialize to use a particular ostream
MolDraw2DSVG( int width , int height , std::ostream &os ) :
MolDraw2D( width , height ) , d_os( os ) { initDrawing(); };
// initialize to use the internal stringstream
MolDraw2DSVG( int width , int height ) :
MolDraw2D( width , height ) , d_os(d_ss) { initDrawing(); };
// set font size in molecule coordinate units. That's probably Angstrom for
// RDKit. It will turned into drawing units using scale_, which might be
// changed as a result, to make sure things still appear in the window.
void setFontSize( double new_size );
void setColour( const DrawColour &col );
// 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 );
void drawString( const std::string &str, const Point2D &cds );
void drawPolygon( const std::vector<Point2D > &cds );
void drawEllipse( const Point2D &cds1 ,
const Point2D &cds2 );
void clearDrawing();
// using the current scale, work out the size of the label in molecule coordinates
void getStringSize( const std::string &label , double &label_width ,
double &label_height ) const;
// this only makes sense if the object was initialized without a stream
std::string getDrawingText() const {return d_ss.str(); };
void tagAtoms( const ROMol &mol );
private :
std::ostream &d_os;
std::stringstream d_ss;
void drawChar( char c , const Point2D &cds );
void initDrawing();
};
}
#endif // MOLDRAW2DSVG_H
RDKit::MolDraw2D::height
virtual int height() const
Definition: MolDraw2D.h:95
RDKit::MolDraw2DSVG::setColour
void setColour(const DrawColour &col)
RDKit::MolDraw2DSVG::getStringSize
void getStringSize(const std::string &label, double &label_width, double &label_height) const
RDKit::DrawColour
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37
RDGeom::Point2D
Definition: point.h:263
RDKit::MolDraw2DSVG::tagAtoms
void tagAtoms(const ROMol &mol)
MolDraw2D.h
RDKit::ROMol
ROMol is a molecule class that is intended to have a fixed topology.
Definition: ROMol.h:105
RDKit::MolDraw2DSVG::drawLine
void drawLine(const Point2D &cds1, const Point2D &cds2)
RDKit::MolDraw2DSVG::drawString
void drawString(const std::string &str, const Point2D &cds)
RDKit::MolDraw2DSVG::finishDrawing
void finishDrawing()
RDKit::MolDraw2DSVG::drawPolygon
void drawPolygon(const std::vector< Point2D > &cds)
RDKit::MolDraw2DSVG::getDrawingText
std::string getDrawingText() const
Definition: MolDraw2DSVG.h:59
RDKit::MolDraw2DSVG::MolDraw2DSVG
MolDraw2DSVG(int width, int height, std::ostream &os)
Definition: MolDraw2DSVG.h:30
RDKit::MolDraw2DSVG::drawEllipse
void drawEllipse(const Point2D &cds1, const Point2D &cds2)
RDKit::MolDraw2DSVG::setFontSize
void setFontSize(double new_size)
RDKit::MolDraw2DSVG
Definition: MolDraw2DSVG.h:26
RDKit::MolDraw2DSVG::clearDrawing
void clearDrawing()
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::MolDraw2D::width
virtual int width() const
Definition: MolDraw2D.h:94
RDKit::MolDraw2DSVG::MolDraw2DSVG
MolDraw2DSVG(int width, int height)
Definition: MolDraw2DSVG.h:33
RDKit::MolDraw2D
Definition: MolDraw2D.h:60