pele.mindist.PointGroupOrderCluster#

class pele.mindist.PointGroupOrderCluster(exact_match)[source]#

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

Methods

__call__(coords)

calculate the point group order of coordinates

Attributes