RDKit: MolFileStereochem.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Functions
MolFileStereochem.h File Reference
`#include <RDGeneral/export.h>`
`#include <GraphMol/RDKitBase.h>`
`#include <GraphMol/Chirality.h>`

Go to the source code of this file.

## Classes
struct | RDKit::StereoBondThresholds

## Namespaces
namespace | RDKit
| Std stuff.

## Functions
RDKIT_FILEPARSERS_EXPORT void | RDKit::DetectAtomStereoChemistry (RWMol &mol, const Conformer *conf)
| deprecated, please use MolOps::assignChiralTypesFromBondDirs instead
RDKIT_FILEPARSERS_EXPORT void | RDKit::DetectBondStereoChemistry (ROMol &mol, const Conformer *conf)
| deprecated, please use MolOps::detectBondStereoChemistry instead
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 void | RDKit::addWavyBondsForStereoAny (ROMol &mol, bool clearDoubleBondFlags=true, unsigned addWhenImpossible=StereoBondThresholds::DBL_BOND_NO_STEREO)
| set wavy bonds around double bonds with STEREOANY stereo
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 std::map< int, std::unique_ptr< RDKit::Chirality::WedgeInfoBase > > &wedgeBonds, const Conformer *conf)
RDKIT_FILEPARSERS_EXPORT void | RDKit::reapplyMolBlockWedging (ROMol &mol)
RDKIT_FILEPARSERS_EXPORT void | RDKit::clearMolBlockWedgingInfo (ROMol &mol)
RDKIT_FILEPARSERS_EXPORT void | RDKit::invertMolBlockWedgingInfo (ROMol &mol)
RDKIT_FILEPARSERS_EXPORT void | RDKit::markUnspecifiedStereoAsUnknown (ROMol &mol, int confId=-1)
RDKIT_FILEPARSERS_EXPORT void | RDKit::translateChiralFlagToStereoGroups (ROMol &mol, StereoGroupType zeroFlagGroupType=StereoGroupType::STEREO_AND)