components_are_isomorphic

emmet.core.featurization.robocrys.condense.component.components_are_isomorphic(component_a, component_b, use_weights=False)

Determines whether the graphs of two components are isomorphic.

Only takes into account graph connectivity and not local geometry (e.g. bond angles and distances).

Args:

component_a: The first component. component_b: The second component. use_weights: Whether to use the graph edge weights in comparing graphs.

Returns:

Whether the components are isomorphic.

Parameters:
  • component_a (dict[str, Any])

  • component_b (dict[str, Any])

  • use_weights (bool)