RDKit::MolDraw2D_detail Namespace Reference

Functions
RDKIT_MOLDRAW2D_EXPORT void	arcPoints (const Point2D &cds1, const Point2D &cds2, std::vector< Point2D > &res, float startAng=0, float extent=360)
RDKIT_MOLDRAW2D_EXPORT void	addStereoAnnotation (const ROMol &mol, bool includeRelativeCIP=false)
	add R/S, relative stereo, and E/Z annotations to atoms and bonds More...
RDKIT_MOLDRAW2D_EXPORT void	addAtomIndices (const ROMol &mol)
	add annotations with atom indices. More...
RDKIT_MOLDRAW2D_EXPORT void	addBondIndices (const ROMol &mol)
	add annotations with bond indices. More...
RDKIT_MOLDRAW2D_EXPORT std::vector< Point2D >	getBracketPoints (const Point2D &p1, const Point2D &p2, const Point2D &refPt, const std::vector< std::pair< Point2D, Point2D >> &bondSegments, double bracketFrac=0.1)
RDKIT_MOLDRAW2D_EXPORT void	drawShapes (MolDraw2D &drawer, const std::vector< MolDrawShape > &shapes)
RDKIT_MOLDRAW2D_EXPORT std::vector< Point2D >	handdrawnLine (Point2D cds1, Point2D cds2, double scale, bool shiftBegin=false, bool shiftEnd=false, unsigned nSteps=4, double deviation=0.03, double endShift=0.5)
std::string	formatDouble (double val)

Variables
const int	char_widths []

Function Documentation

addAtomIndices()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addAtomIndices ( const ROMol &  mol )

inline

add annotations with atom indices.

Definition at line 62 of file MolDraw2DDetails.h.

References RDKit::common_properties::atomNote, RDKit::ROMol::atoms(), RDKit::RDProps::hasProp(), RDKit::RDProps::setProp(), and RDKit::CIPLabeler::to_string().

addBondIndices()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addBondIndices ( const ROMol &  mol )

inline

add annotations with bond indices.

Definition at line 78 of file MolDraw2DDetails.h.

References RDKit::common_properties::bondNote, RDKit::ROMol::bonds(), RDKit::RDProps::hasProp(), RDKit::RDProps::setProp(), and RDKit::CIPLabeler::to_string().

addStereoAnnotation()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addStereoAnnotation	(	const ROMol &	mol,
		bool	includeRelativeCIP = false
	)

add R/S, relative stereo, and E/Z annotations to atoms and bonds

arcPoints()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::arcPoints	(	const Point2D &	cds1,
		const Point2D &	cds2,
		std::vector< Point2D > &	res,
		float	startAng = 0,
		float	extent = 360
	)

drawShapes()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::drawShapes	(	MolDraw2D &	drawer,
		const std::vector< MolDrawShape > &	shapes
	)

formatDouble()

std::string RDKit::MolDraw2D_detail::formatDouble ( double  val )

inline

Definition at line 106 of file MolDraw2DDetails.h.

getBracketPoints()

RDKIT_MOLDRAW2D_EXPORT std::vector<Point2D> RDKit::MolDraw2D_detail::getBracketPoints	(	const Point2D &	p1,
		const Point2D &	p2,
		const Point2D &	refPt,
		const std::vector< std::pair< Point2D, Point2D >> &	bondSegments,
		double	bracketFrac = 0.1
	)

handdrawnLine()

RDKIT_MOLDRAW2D_EXPORT std::vector<Point2D> RDKit::MolDraw2D_detail::handdrawnLine	(	Point2D	cds1,
		Point2D	cds2,
		double	scale,
		bool	shiftBegin = false,
		bool	shiftEnd = false,
		unsigned	nSteps = 4,
		double	deviation = 0.03,
		double	endShift = 0.5
	)

Variable Documentation

char_widths

const int RDKit::MolDraw2D_detail::char_widths[]

Initial value:

= {
    0,   0,    0,   0,   0,   0,   0,    0,    0,    0,   0,    0,   0,    0,
    0,   0,    0,   0,   0,   0,   0,    0,    0,    0,   0,    0,   0,    0,
    0,   0,    0,   0,   278, 278, 355,  556,  556,  889, 667,  222, 333,  333,
    389, 584,  278, 333, 278, 278, 556,  556,  556,  556, 556,  556, 556,  556,
    556, 556,  278, 278, 584, 584, 584,  556,  1015, 667, 667,  722, 722,  667,
    611, 778,  722, 278, 500, 667, 556,  833,  722,  778, 667,  778, 722,  667,
    611, 722,  667, 944, 667, 667, 611,  278,  278,  278, 469,  556, 222,  556,
    556, 500,  556, 556, 278, 556, 556,  222,  222,  500, 222,  833, 556,  556,
    556, 556,  333, 500, 278, 556, 500,  722,  500,  500, 500,  334, 260,  334,
    584, 0,    0,   0,   0,   0,   0,    0,    0,    0,   0,    0,   0,    0,
    0,   0,    0,   0,   0,   0,   0,    0,    0,    0,   0,    0,   0,    0,
    0,   0,    0,   0,   0,   0,   0,    333,  556,  556, 167,  556, 556,  556,
    556, 191,  333, 556, 333, 333, 500,  500,  0,    556, 556,  556, 278,  0,
    537, 350,  222, 333, 333, 556, 1000, 1000, 0,    611, 0,    333, 333,  333,
    333, 333,  333, 333, 333, 0,   333,  333,  0,    333, 333,  333, 1000, 0,
    0,   0,    0,   0,   0,   0,   0,    0,    0,    0,   0,    0,   0,    0,
    0,   1000, 0,   370, 0,   0,   0,    0,    556,  778, 1000, 365, 0,    0,
    0,   0,    0,   889, 0,   0,   0,    278,  0,    0,   222,  611, 944,  611,
    0,   0,    834}

Definition at line 31 of file MolDraw2DDetails.h.