44from crystal_toolkit .core .scene import Cylinders , Scene
55
66
7- def _get_extras_cross_boundary (one_hop , only_wi_structure ):
7+ def _get_extras_cross_boundary (self , one_hop , only_wi_structure ):
88 extras = []
99 working_struct = only_wi_structure .copy ()
1010 wi = working_struct [0 ].specie .name
@@ -14,7 +14,8 @@ def _get_extras_cross_boundary(one_hop, only_wi_structure):
1414 working_struct .insert (0 , wi , one_hop ["epos" ])
1515 shifted_ipos = one_hop ["ipos" ] - np .array (one_hop ["to_jimage" ])
1616 working_struct .insert (0 , wi , shifted_ipos )
17- extras .extend ([working_struct [0 ].get_scene (), working_struct [1 ].get_scene ()])
17+ sites_contents = [working_struct [0 ].get_scene (), working_struct [1 ].get_scene ()]
18+ extras .extend (sites_contents )
1819
1920 # extra cylinders
2021 extra_ipos = list (working_struct [0 ].coords )
@@ -55,7 +56,9 @@ def get_migrationgraph_scene(
5556 one_hop_contents .append (hop_cyl )
5657
5758 if one_hop ["to_jimage" ] != (0 , 0 , 0 ):
58- extras_cross_boundary = _get_extras_cross_boundary (one_hop , self .only_sites )
59+ extras_cross_boundary = self ._get_extras_cross_boundary (
60+ one_hop , self .only_sites
61+ )
5962 one_hop_contents .extend (extras_cross_boundary )
6063
6164 one_hop_scene = Scene (name = f"hop_{ k } " , contents = one_hop_contents )
@@ -69,4 +72,5 @@ def get_migrationgraph_scene(
6972 return result_scene
7073
7174
75+ MigrationGraph ._get_extras_cross_boundary = _get_extras_cross_boundary
7276MigrationGraph .get_scene = get_migrationgraph_scene
0 commit comments