pele.mindist.ExactMatchAtomicCluster.check_match

ExactMatchAtomicCluster.check_match(x1, x2, rot, invert)[source]

Give a rotation and inversion, make a more detailed comparison if the 2 structures match

Parameters :

rot: np.array, 3x3

guessed rotation based on reference atoms

invert: boolean

True do match for inverted coordinates

returns: boolean

True or False for match

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