class pele.mindist.ExactMatchAtomicCluster(permlist=None, can_invert=True, **kwargs)[source]

minpermdist for atomic cluster (3 carthesian coordinates per site)

Parameters :

permlist : optional

list of allowed permutations. If nothing is given, all atoms will be considered as permutable. For no permutations give an empty list []

can_invert : bool, optional

also test for inversion


__call__(coords1, coords2[, check_inversion]) return True if the structures are an exact mach, False otherwise
apply_transformation(x, tform)
check_match(x1, x2, rot, invert) Give a rotation and inversion, make a more detailed comparison if the 2 structures match
find_transformation(coords1, coords2[, ...]) Return None if the two structures are different, else return the transformations that brings them into alignment
standard_alignments(coords1, coords2) return an iterator over the standard alignments

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