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RDKit
Open-source cheminformatics and machine learning.
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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 [] |
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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().
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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().
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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.
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::arcPoints | ( | const Point2D & | cds1, |
const Point2D & | cds2, | ||
std::vector< Point2D > & | res, | ||
float | startAng = 0 , |
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float | extent = 360 |
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const int RDKit::MolDraw2D_detail::char_widths[] |
Definition at line 29 of file MolDraw2DDetails.h.