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)

return an iterator over the standard alignments

Attributes