def symmetry_relation(initial_point_group, final_point_group):
if initial_point_group in ["3m", "-3m"]:
initial_point_group += "1"
if final_point_group in ["3m", "-3m"]:
final_point_group += "1"
initial = SpaceGroup(f"P{initial_point_group}")
final = SpaceGroup(f"P{final_point_group}")
if initial == final:
return SymmRelation.same
elif final.is_subgroup(initial):
return SymmRelation.subgroup
elif final.is_supergroup(initial):
return SymmRelation.supergroup
else:
return SymmRelation.another
def symmetry_relation(initial_point_group, final_point_group):
""" Check the point group symmetry relation using the space group relation
implemented in pymatgen.
"""
if initial_point_group in ["3m", "-3m"]:
initial_point_group += "1"
if final_point_group in ["3m", "-3m"]:
final_point_group += "1"
initial = SpaceGroup(f"P{initial_point_group}")
final = SpaceGroup(f"P{final_point_group}")
if initial == final:
return SymmRelation.same
elif final.is_subgroup(initial):
return SymmRelation.subgroup
elif final.is_supergroup(initial):
return SymmRelation.supergroup
else:
return SymmRelation.another