![]() |
RDKit
Open-source cheminformatics and machine learning.
|
Go to the source code of this file.
Namespaces | |
RDKit | |
Std stuff. | |
Functions | |
RDKIT_FILEPARSERS_EXPORT void | RDKit::DetectAtomStereoChemistry (RWMol &mol, const Conformer *conf) |
RDKIT_FILEPARSERS_EXPORT void | RDKit::DetectBondStereoChemistry (ROMol &mol, const Conformer *conf) |
deprecated, please use MolOps::detectBondStereoChemistry instead More... | |
RDKIT_FILEPARSERS_EXPORT void | RDKit::WedgeMolBonds (ROMol &mol, const Conformer *conf) |
RDKIT_FILEPARSERS_EXPORT void | RDKit::WedgeBond (Bond *bond, unsigned int fromAtomIdx, const Conformer *conf) |
RDKIT_FILEPARSERS_EXPORT INT_MAP_INT | RDKit::pickBondsToWedge (const ROMol &mol) |
RDKIT_FILEPARSERS_EXPORT void | RDKit::ClearSingleBondDirFlags (ROMol &mol) |
RDKIT_FILEPARSERS_EXPORT Bond::BondDir | RDKit::DetermineBondWedgeState (const Bond *bond, unsigned int fromAtomIdx, const Conformer *conf) |
RDKIT_FILEPARSERS_EXPORT Bond::BondDir | RDKit::DetermineBondWedgeState (const Bond *bond, const INT_MAP_INT &wedgeBonds, const Conformer *conf) |