nn_summaries_match

emmet.core.featurization.robocrys.condense.site.nn_summaries_match(nn_sites_a, nn_sites_b, bond_dist_tol=0.01, match_bond_dists=True)

Determine whether two sets of nearest neighbors match.

Nearest neighbor data should be formatted the same as produced by robocrys.site.SiteAnalyzer.get_nearest_neighbors().

Return type:

bool

Parameters:

• nn_sites_a (list[dict[str, int | str]])

• nn_sites_b (list[dict[str, int | str]])

• bond_dist_tol (float)

• match_bond_dists (bool)

Args:

nn_sites_a: The first set of nearest neighbors. nn_sites_b: The second set of nearest neighbors. bond_dist_tol: The tolerance used to determine if two bond lengths

are the same.

match_bond_dists: Whether to consider bond distances when matching.

Returns:

Whether the two sets of nearest neighbors match.