orgdisord.merge.coords_match

orgdisord.merge.coords_match(a1, a2, symprec=0.0001, return_indices=False)

Returns True if a1 and a2 are equal apart from a reordering of the rows.

Parameters

• a1 (np.array) – An array of coordinates.

• a2 (np.array) – An array of coordinates.

• symprec (float) – The tolerance for the similarity.

• return_indices (bool) – If True, return the mapping indices of the matching atoms. i.e. an array of indices such that a1[indices] == a2