pele.mindist._pointgrouporder#

class pele.mindist._pointgrouporder.PointGroupOrderCluster[source]

Source

class PointGroupOrderCluster:

Determines the point group order of a cluster

Uses exact_match and standard_alignment to determine the point group order of a cluster.

Parameters:
exact_match

class to perform exact match checks and get transform policies

PointGroupOrderCluster.__call__()[source]

Source

def __call__(self, coords):

calculate the point group order of coordinates