pele.angleaxis.ExactMatchAACluster.check_match

ExactMatchAACluster.check_match(x1, x2, rot, invert)

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