![]() |
RDKit
Open-source cheminformatics and machine learning.
|
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... | |
Variables | |
const int | char_widths [] |
|
inline |
add annotations with atom indices.
Definition at line 61 of file MolDraw2DDetails.h.
References RDKit::common_properties::atomNote, RDKit::ROMol::atoms(), RDKit::RDProps::hasProp(), RDKit::RDProps::setProp(), and RDKit::CIPLabeler::to_string().
|
inline |
add annotations with bond indices.
Definition at line 77 of file MolDraw2DDetails.h.
References RDKit::common_properties::bondNote, RDKit::ROMol::bonds(), RDKit::RDProps::hasProp(), RDKit::RDProps::setProp(), and RDKit::CIPLabeler::to_string().
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
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::arcPoints | ( | const Point2D & | cds1, |
const Point2D & | cds2, | ||
std::vector< Point2D > & | res, | ||
float | startAng = 0 , |
||
float | extent = 360 |
||
) |
const int RDKit::MolDraw2D_detail::char_widths[] |
Definition at line 30 of file MolDraw2DDetails.h.