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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
RDKIT_MOLDRAW2D_EXPORT void | 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 | updateDrawerParamsFromJSON (MolDraw2D &drawer, const char *json) |
RDKIT_MOLDRAW2D_EXPORT void | updateDrawerParamsFromJSON (MolDraw2D &drawer, const std::string &json) |
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::prepareMolForDrawing | ( | RWMol & | mol, |
bool | kekulize = true , |
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bool | addChiralHs = true , |
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bool | wedgeBonds = true , |
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bool | forceCoords = false |
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Does some cleanup operations on the molecule to prepare it to draw nicely.
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON | ( | MolDraw2D & | drawer, |
const char * | json | ||
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RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON | ( | MolDraw2D & | drawer, |
const std::string & | json | ||
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