Package rdkit :: Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeature
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Class MolChemicalFeature

 object --+    
          |    
??.instance --+
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             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.
 
GetId(...)
GetId( (MolChemicalFeature)arg1) -> int : Returns the identifier of the feature
 
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__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

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})

GetId(...)

 

GetId( (MolChemicalFeature)arg1) -> int :
    Returns the identifier of the feature
    

    C++ signature :
        int GetId(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)