rdkit.Chem.rdMolChemicalFeatures.MolChemicalFeature

Package rdkit :: Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeature |
[hide private]
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# Class MolChemicalFeature

     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.

Instance Methods | [hide private]
ClearCache(...) ClearCache( (MolChemicalFeature)arg1) -> None : Clears the cache used to store position information. |
GetAtomIds(...) GetAtomIds( (MolChemicalFeature)arg1) -> object : Get the IDs of the atoms that participate in the feature |
GetFactory(...) GetFactory( (MolChemicalFeature)arg1) -> MolChemicalFeatureFactory : Get the factory used to generate this feature |
GetFamily(...) GetFamily( (MolChemicalFeature)arg1) -> str : Get the family to which the feature belongs; donor, acceptor, etc. |
GetMol(...) GetMol( (MolChemicalFeature)arg1) -> Mol : Get the molecule used to derive the features |
GetPos(...) GetPos( (MolChemicalFeature)self [, (int)confId=-1]) -> Point3D : Get the location of the chemical feature |
GetType(...) GetType( (MolChemicalFeature)arg1) -> str : Get the specific type for the feature |
__init__(...) Raises an exception... |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### ClearCache(...) |
    ClearCache( (MolChemicalFeature)arg1) -> None :
        Clears the cache used to store position information.

        C++ signature :
            void ClearCache(RDKit::MolChemicalFeature {lvalue})

### GetAtomIds(...) |
    GetAtomIds( (MolChemicalFeature)arg1) -> object :
        Get the IDs of the atoms that participate in the feature

        C++ signature :
            _object* GetAtomIds(RDKit::MolChemicalFeature)

### GetFactory(...) |
    GetFactory( (MolChemicalFeature)arg1) -> MolChemicalFeatureFactory :
        Get the factory used to generate this feature

        C++ signature :
            RDKit::MolChemicalFeatureFactory const* GetFactory(RDKit::MolChemicalFeature {lvalue})

### GetFamily(...) |
    GetFamily( (MolChemicalFeature)arg1) -> str :
        Get the family to which the feature belongs; donor, acceptor, etc.

        C++ signature :
            std::string GetFamily(RDKit::MolChemicalFeature {lvalue})

### GetMol(...) |
    GetMol( (MolChemicalFeature)arg1) -> Mol :
        Get the molecule used to derive the features

        C++ signature :
            RDKit::ROMol const* GetMol(RDKit::MolChemicalFeature {lvalue})

### GetPos(...) |
    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(...) |
    GetType( (MolChemicalFeature)arg1) -> str :
        Get the specific type for the feature

        C++ signature :
            std::string GetType(RDKit::MolChemicalFeature {lvalue})

### __init__(...) (Constructor) |
    Raises an exception
    This class cannot be instantiated from Python
Overrides: object.__init__

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)