Chem.rdMolChemicalFeatures.MolChemicalFeature

Package Chem :: Module rdMolChemicalFeatures :: Class MolChemicalFeature |
[hide private]
[frames] | no frames]

# 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__