Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeature

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(...)
Clears the cache used to store position information.

GetAtomIds(...)
Get the IDs of the atoms that participate in the feature...

GetFactory(...)
Get the factory used to generate this feature...

GetFamily(...)
Get the family to which the feature belongs; donor, acceptor, etc.

GetMol(...)
Get the molecule used to derive the features...

GetPos(...)
Get the location of the chemical feature...

GetType(...)
Get the specific type for the feature...

__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]

ClearCache(...)

Clears the cache used to store position information.
C++ signature:
    ClearCache(RDKit::MolChemicalFeature {lvalue}) -> void*

GetAtomIds(...)

Get the IDs of the atoms that participate in the feature
C++ signature:
    GetAtomIds(RDKit::MolChemicalFeature) -> _object*

GetFactory(...)

Get the factory used to generate this feature
C++ signature:
    GetFactory(RDKit::MolChemicalFeature {lvalue}) -> RDKit::MolChemicalFeatureFactory const*

GetFamily(...)

Get the family to which the feature belongs; donor, acceptor, etc.
C++ signature:
    GetFamily(RDKit::MolChemicalFeature {lvalue}) -> std::string

GetMol(...)

Get the molecule used to derive the features
C++ signature:
    GetMol(RDKit::MolChemicalFeature {lvalue}) -> RDKit::ROMol const*

GetPos(...)

Get the location of the chemical feature
C++ signature:
    GetPos(RDKit::MolChemicalFeature {lvalue} self, int confId=-1) -> RDGeom::Point3D

GetType(...)

Get the specific type for the feature
C++ signature:
    GetType(RDKit::MolChemicalFeature {lvalue}) -> std::string

init(...)
(Constructor)

Raises an exception
This class cannot be instantiated from Python

Overrides: object.__init__

Class MolChemicalFeature

ClearCache(...)

GetAtomIds(...)

GetFactory(...)

GetFamily(...)

GetMol(...)

GetPos(...)

GetType(...)

__init__(...) (Constructor)

init(...)
(Constructor)