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adding to LigandNetwork docstring #390

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Nov 8, 2024
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adding to LigandNetwork docstring #390

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9 changes: 6 additions & 3 deletions gufe/ligandnetwork.py
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Expand Up @@ -14,14 +14,17 @@


class LigandNetwork(GufeTokenizable):
"""A directed graph connecting many ligands according to their atom mapping
"""A directed graph connecting ligands according to their atom mapping.
A network can be defined by specifying only edges, in which case the nodes are implicitly added.


Parameters
----------
edges : Iterable[LigandAtomMapping]
edges for this network
Edges for this network, each specified as a LigandAtomMapping between two nodes.
nodes : Iterable[SmallMoleculeComponent]
nodes for this network
Nodes for this network. Any nodes already included as a part of the 'edges' will be ignored.
Nodes not already included in 'edges' will be added as isolated, unconnected nodes.
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"""
def __init__(
self,
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