pele.angleaxis.ExactMatchAACluster

class pele.angleaxis.ExactMatchAACluster(topology, transform=None, measure=None, **kwargs)[source]

test whether two structure are exactly the same

Methods

__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)

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pele.angleaxis.TransformAngleAxisCluster.translate

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pele.angleaxis.ExactMatchAACluster.__call__