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RDKit
Open-source cheminformatics and machine learning.
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Go to the source code of this file.
Namespaces | |
RDKit | |
Std stuff. | |
RDKit::MolDraw2DUtils | |
Functions | |
RDKIT_MOLDRAW2D_EXPORT void | RDKit::MolDraw2DUtils::prepareMolForDrawing (RWMol &mol, bool kekulize=true, bool addChiralHs=true, bool wedgeBonds=true, bool forceCoords=false) |
Does some cleanup operations on the molecule to prepare it to draw nicely. More... | |
RDKIT_MOLDRAW2D_EXPORT void | RDKit::MolDraw2DUtils::prepareAndDrawMolecule (MolDraw2D &drawer, const ROMol &mol, const std::string &legend="", const std::vector< int > *highlight_atoms=nullptr, const std::vector< int > *highlight_bonds=nullptr, const std::map< int, DrawColour > *highlight_atom_map=nullptr, const std::map< int, DrawColour > *highlight_bond_map=nullptr, const std::map< int, double > *highlight_radii=nullptr, int confId=-1) |
prepare a molecule for drawing and draw it More... | |
RDKIT_MOLDRAW2D_EXPORT void | RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON (MolDraw2D &drawer, const char *json) |
RDKIT_MOLDRAW2D_EXPORT void | RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON (MolDraw2D &drawer, const std::string &json) |