RDKit
Open-source cheminformatics and machine learning.
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)
 add R/S and E/Z annotation to atoms and bonds respectively. 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...
 

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 73 of file MolDraw2DDetails.h.

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

◆ addBondIndices()

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

add annotations with bond indices.

Definition at line 89 of file MolDraw2DDetails.h.

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

◆ addStereoAnnotation()

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addStereoAnnotation ( const ROMol mol)
inline

add R/S and E/Z annotation to atoms and bonds respectively.

Definition at line 56 of file MolDraw2DDetails.h.

References RDKit::common_properties::atomNote, RDKit::ROMol::atoms(), RDKit::common_properties::bondNote, RDKit::ROMol::bonds(), RDKit::Bond::STEREOE, and RDKit::Bond::STEREOZ.

◆ 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 
)

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 29 of file MolDraw2DDetails.h.