stk.MoleculeRecord

class stk.MoleculeRecord(topology_graph)[source]

Bases: Generic[T]

An abstract base class for molecular records used by the EA.

Notes

You might notice that the public methods of this abstract base class are implemented. This is a default implementation provided purely for convenience. Subclasses can freely ignore or override this implementation.

Parameters:: topology_graph (T) – The topology graph of a ConstructedMolecule.

Methods

`get_molecule`	Get the molecule held by the record.
`get_topology_graph`	Get the topology graph of the molecule.

get_molecule()[source]

Get the molecule held by the record.

Returns:: The molecule held by the record.
Return type:: ConstructedMolecule

get_topology_graph()[source]

Get the topology graph of the molecule.

Returns:: The topology graph.
Return type:: T