Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeatureFactory

Class MolChemicalFeatureFactory

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

Class to featurize a molecule

Instance Methods

[hide private]

GetFeaturesForMol(self, mol, includeOnly='') source code

GetMolFeature(...)
returns a particular feature (by index)...

GetNumFeatureDefs(...)
Get the number of feature definitions...

GetNumMolFeatures(...)
Get the number of features the molecule has...

__init__(...)
Raises an exception...

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

GetMolFeature(...)

returns a particular feature (by index)
C++ signature:
    GetMolFeature(RDKit::MolChemicalFeatureFactory, RDKit::ROMol mol, int idx, std::string includeOnly='', bool recompute=True) -> boost::shared_ptr<RDKit::MolChemicalFeature>

GetNumFeatureDefs(...)

Get the number of feature definitions
C++ signature:
    GetNumFeatureDefs(RDKit::MolChemicalFeatureFactory {lvalue}) -> int

GetNumMolFeatures(...)

Get the number of features the molecule has
C++ signature:
    GetNumMolFeatures(RDKit::MolChemicalFeatureFactory, RDKit::ROMol mol, std::string includeOnly='') -> int

init(...)
(Constructor)

Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

Class MolChemicalFeatureFactory

GetMolFeature(...)

GetNumFeatureDefs(...)

GetNumMolFeatures(...)

__init__(...) (Constructor)

init(...)
(Constructor)