Package rdkit :: Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeatureFactory
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Class MolChemicalFeatureFactory

 object --+    
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??.instance --+
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             MolChemicalFeatureFactory

Class to featurize a molecule

Instance Methods [hide private]
 
GetFeatureDefs(...)
GetFeatureDefs( (MolChemicalFeatureFactory)arg1) -> dict : Get a dictionary with SMARTS definitions for each feature type
 
GetFeatureFamilies(...)
GetFeatureFamilies( (MolChemicalFeatureFactory)arg1) -> tuple : Get a tuple of feature types
 
GetFeaturesForMol(self, mol, includeOnly='') source code
 
GetMolFeature(...)
GetMolFeature( (MolChemicalFeatureFactory)arg1, (Mol)mol, (int)idx [, (str)includeOnly='' [, (bool)recompute=True]]) -> MolChemicalFeature : returns a particular feature (by index)
 
GetNumFeatureDefs(...)
GetNumFeatureDefs( (MolChemicalFeatureFactory)arg1) -> int : Get the number of feature definitions
 
GetNumMolFeatures(...)
GetNumMolFeatures( (MolChemicalFeatureFactory)arg1, (Mol)mol [, (str)includeOnly='']) -> int : Get the number of features the molecule has
 
__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]

GetFeatureDefs(...)

 

GetFeatureDefs( (MolChemicalFeatureFactory)arg1) -> dict :
    Get a dictionary with SMARTS definitions for each feature type

    C++ signature :
        boost::python::dict GetFeatureDefs(RDKit::MolChemicalFeatureFactory)

GetFeatureFamilies(...)

 

GetFeatureFamilies( (MolChemicalFeatureFactory)arg1) -> tuple :
    Get a tuple of feature types

    C++ signature :
        boost::python::tuple GetFeatureFamilies(RDKit::MolChemicalFeatureFactory)

GetMolFeature(...)

 

GetMolFeature( (MolChemicalFeatureFactory)arg1, (Mol)mol, (int)idx [, (str)includeOnly='' [, (bool)recompute=True]]) -> MolChemicalFeature :
    returns a particular feature (by index)

    C++ signature :
        boost::shared_ptr<RDKit::MolChemicalFeature> GetMolFeature(RDKit::MolChemicalFeatureFactory,RDKit::ROMol,int [,std::string='' [,bool=True]])

GetNumFeatureDefs(...)

 

GetNumFeatureDefs( (MolChemicalFeatureFactory)arg1) -> int :
    Get the number of feature definitions

    C++ signature :
        int GetNumFeatureDefs(RDKit::MolChemicalFeatureFactory {lvalue})

GetNumMolFeatures(...)

 

GetNumMolFeatures( (MolChemicalFeatureFactory)arg1, (Mol)mol [, (str)includeOnly='']) -> int :
    Get the number of features the molecule has

    C++ signature :
        int GetNumMolFeatures(RDKit::MolChemicalFeatureFactory,RDKit::ROMol [,std::string=''])

__init__(...)
(Constructor)

 
Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)