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object --+ | ??.instance --+ | MolChemicalFeature
Class to represent a chemical feature. These chemical features may or may not have been derived from molecule object; i.e. it is possible to have a chemical feature that was created just from its type and location.
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Inherited from Inherited from |
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Inherited from |
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ClearCache( (MolChemicalFeature)arg1) -> None : Clears the cache used to store position information. C++ signature : void ClearCache(RDKit::MolChemicalFeature {lvalue}) |
GetAtomIds( (MolChemicalFeature)arg1) -> object : Get the IDs of the atoms that participate in the feature C++ signature : _object* GetAtomIds(RDKit::MolChemicalFeature) |
GetFactory( (MolChemicalFeature)arg1) -> MolChemicalFeatureFactory : Get the factory used to generate this feature C++ signature : RDKit::MolChemicalFeatureFactory const* GetFactory(RDKit::MolChemicalFeature {lvalue}) |
GetFamily( (MolChemicalFeature)arg1) -> str : Get the family to which the feature belongs; donor, acceptor, etc. C++ signature : std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetFamily(RDKit::MolChemicalFeature {lvalue}) |
GetId( (MolChemicalFeature)arg1) -> int : Returns the identifier of the feature C++ signature : int GetId(RDKit::MolChemicalFeature {lvalue}) |
GetMol( (MolChemicalFeature)arg1) -> Mol : Get the molecule used to derive the features C++ signature : RDKit::ROMol const* GetMol(RDKit::MolChemicalFeature {lvalue}) |
GetPos( (MolChemicalFeature)self [, (int)confId=-1]) -> Point3D : Get the location of the chemical feature C++ signature : RDGeom::Point3D GetPos(RDKit::MolChemicalFeature {lvalue} [,int=-1]) |
GetType( (MolChemicalFeature)arg1) -> str : Get the specific type for the feature C++ signature : std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetType(RDKit::MolChemicalFeature {lvalue}) |
Raises an exception This class cannot be instantiated from Python
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helper for pickle
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