validate_mapping

validate_mapping(orig_graph, correct_graph, mapping)

Validate that a given atom mapping preserves the connectivity between two molecular graphs.

Parameters:

• orig_graph (networkx.Graph) – The graph representation of the original molecule.

• correct_graph (networkx.Graph) – The graph representation of the target molecule.

• mapping (dict) – A dictionary mapping node indices from orig_graph to correct_graph.

Return type:

None

Raises:

ValueError – If the mapping does not preserve the connectivity between the two graphs.