#include <MolDraw2D.h>

Inheritance diagram for RDKit::MolDraw2D:

Public Types
enum	OrientType { C = 0, N, E, S, W }

enum	TextDrawType { TextDrawNormal = 0, TextDrawSuperscript, TextDrawSubscript }

Public Member Functions
	MolDraw2D (int width, int height)

virtual	~MolDraw2D ()

virtual void	drawMolecule (const ROMol &mol, const std::vector< int > highlight_atoms=NULL, const std::map< int, DrawColour > highlight_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1)

virtual void	drawMolecule (const ROMol &mol, const std::string &legend, const std::vector< int > highlight_atoms=NULL, const std::map< int, DrawColour > highlight_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1)

virtual void	drawMolecule (const ROMol &mol, const std::vector< int > highlight_atoms, const std::vector< int > highlight_bonds, const std::map< int, DrawColour > highlight_atom_map=NULL, const std::map< int, DrawColour > highlight_bond_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1)

virtual void	drawMolecule (const ROMol &mol, const std::string &legend, const std::vector< int > highlight_atoms, const std::vector< int > highlight_bonds, const std::map< int, DrawColour > highlight_atom_map=NULL, const std::map< int, DrawColour > highlight_bond_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1)

virtual Point2D	getDrawCoords (const Point2D &mol_cds) const

virtual Point2D	getDrawCoords (int at_num) const

virtual Point2D	getAtomCoords (const std::pair< int, int > &screen_cds) const

virtual Point2D	getAtomCoords (const std::pair< double, double > &screen_cds) const

virtual Point2D	getAtomCoords (int at_num) const

virtual int	width () const

virtual int	height () const

virtual double	scale () const

virtual void	calculateScale ()

virtual double	fontSize () const

virtual void	setFontSize (double new_size)

virtual void	setColour (const DrawColour &col)

virtual DrawColour	colour () const

virtual void	setDash (const DashPattern &patt)

virtual const DashPattern &	dash () const

virtual void	setLineWidth (int width)

virtual int	lineWidth () const

bool	setStringDrawMode (const std::string &instring, TextDrawType &draw_mode, int &i) const

virtual void	clearDrawing ()=0

virtual void	drawLine (const Point2D &cds1, const Point2D &cds2)=0

virtual void	getStringSize (const std::string &label, double &label_width, double &label_height) const =0

virtual void	drawString (const std::string &str, const Point2D &cds)

virtual void	drawPolygon (const std::vector< Point2D > &cds)=0

virtual void	drawTriangle (const Point2D &cds1, const Point2D &cds2, const Point2D &cds3)

virtual void	drawEllipse (const Point2D &cds1, const Point2D &cds2)

virtual void	drawRect (const Point2D &cds1, const Point2D &cds2)

virtual void	drawAttachmentLine (const Point2D &cds1, const Point2D &cds2, const DrawColour &col, double len=1.0, unsigned int nSegments=8)

virtual void	tagAtoms (const ROMol &mol)

virtual bool	fillPolys () const

virtual void	setFillPolys (bool val)

MolDrawOptions &	drawOptions ()

const MolDrawOptions &	drawOptions () const

const std::vector< Point2D > &	atomCoords () const

const std::vector< std::pair< std::string, OrientType > > &	atomSyms () const

Detailed Description

Definition at line 76 of file MolDraw2D.h.

Member Enumeration Documentation

enum RDKit::MolDraw2D::OrientType

Enumerator
C
N
E
S
W

Definition at line 78 of file MolDraw2D.h.

enum RDKit::MolDraw2D::TextDrawType

Enumerator
TextDrawNormal
TextDrawSuperscript
TextDrawSubscript

Definition at line 79 of file MolDraw2D.h.

Constructor & Destructor Documentation

RDKit::MolDraw2D::MolDraw2D	(	int	width,
		int	height
	)

virtual RDKit::MolDraw2D::~MolDraw2D ( )

inlinevirtual

Definition at line 86 of file MolDraw2D.h.

Member Function Documentation

const std::vector<Point2D>& RDKit::MolDraw2D::atomCoords ( ) const

inline

Definition at line 188 of file MolDraw2D.h.

const std::vector<std::pair<std::string, OrientType> >& RDKit::MolDraw2D::atomSyms ( ) const

inline

Definition at line 189 of file MolDraw2D.h.

virtual void RDKit::MolDraw2D::calculateScale ( )

virtual

virtual void RDKit::MolDraw2D::clearDrawing ( )

pure virtual

Implemented in RDKit::MolDraw2Dwx, RDKit::MolDraw2DCairo, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.

virtual DrawColour RDKit::MolDraw2D::colour ( ) const

inlinevirtual

Definition at line 140 of file MolDraw2D.h.

Referenced by RDKit::MolDraw2Dwx::setColour().

virtual const DashPattern& RDKit::MolDraw2D::dash ( ) const

inlinevirtual

Definition at line 143 of file MolDraw2D.h.

virtual void RDKit::MolDraw2D::drawAttachmentLine	(	const Point2D &	cds1,
		const Point2D &	cds2,
		const DrawColour &	col,
		double	len = `1.0`,
		unsigned int	nSegments = `8`
	)

virtual

virtual void RDKit::MolDraw2D::drawEllipse	(	const Point2D &	cds1,
		const Point2D &	cds2
	)

virtual

Reimplemented in RDKit::MolDraw2DSVG.

virtual void RDKit::MolDraw2D::drawLine	(	const Point2D &	cds1,
		const Point2D &	cds2
	)

pure virtual

Implemented in RDKit::MolDraw2DCairo, RDKit::MolDraw2Dwx, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.

virtual void RDKit::MolDraw2D::drawMolecule	(	const ROMol &	mol,
		const std::vector< int > *	highlight_atoms = `NULL`,
		const std::map< int, DrawColour > *	highlight_map = `NULL`,
		const std::map< int, double > *	highlight_radii = `NULL`,
		int	confId = `-1`
	)

virtual

virtual void RDKit::MolDraw2D::drawMolecule	(	const ROMol &	mol,
		const std::string &	legend,
		const std::vector< int > *	highlight_atoms = `NULL`,
		const std::map< int, DrawColour > *	highlight_map = `NULL`,
		const std::map< int, double > *	highlight_radii = `NULL`,
		int	confId = `-1`
	)

virtual

virtual void RDKit::MolDraw2D::drawMolecule	(	const ROMol &	mol,
		const std::vector< int > *	highlight_atoms,
		const std::vector< int > *	highlight_bonds,
		const std::map< int, DrawColour > *	highlight_atom_map = `NULL`,
		const std::map< int, DrawColour > *	highlight_bond_map = `NULL`,
		const std::map< int, double > *	highlight_radii = `NULL`,
		int	confId = `-1`
	)

virtual

virtual void RDKit::MolDraw2D::drawMolecule	(	const ROMol &	mol,
		const std::string &	legend,
		const std::vector< int > *	highlight_atoms,
		const std::vector< int > *	highlight_bonds,
		const std::map< int, DrawColour > *	highlight_atom_map = `NULL`,
		const std::map< int, DrawColour > *	highlight_bond_map = `NULL`,
		const std::map< int, double > *	highlight_radii = `NULL`,
		int	confId = `-1`
	)