AlchemicalNetwork
#
- class gufe.network.AlchemicalNetwork(edges: Iterable[Transformation] | None = None, nodes: Iterable[ChemicalSystem] | None = None, name: str | None = None)#
Methods
Currently not implemented
Currently not implemented
Attributes
Network edges as a frozenset of
Transformation
instances.A networkx representation of the AlchemicalNetwork
Optional identifier for the network.
Network nodes as a
frozenset
ofChemicalSystem
instances.- property edges: frozenset[Transformation]#
Network edges as a frozenset of
Transformation
instances.
- classmethod from_graphml(str)#
Currently not implemented
- property graph: networkx.MultiDiGraph#
A networkx representation of the AlchemicalNetwork
Nodes are represented as
ChemicalSystem
objects and directed edges are represented asTransformation
objects
- property name: str | None#
Optional identifier for the network.
- property nodes: frozenset[ChemicalSystem]#
Network nodes as a
frozenset
ofChemicalSystem
instances.
- to_graphml() str #
Currently not implemented