diff --git a/crystal_toolkit/renderables/migrationgraph.py b/crystal_toolkit/renderables/migrationgraph.py index 8e3751e4..7b94d387 100644 --- a/crystal_toolkit/renderables/migrationgraph.py +++ b/crystal_toolkit/renderables/migrationgraph.py @@ -1,8 +1,7 @@ -from turtle import pos -import numpy as np - from pymatgen.analysis.diffusion.neb.full_path_mapper import MigrationGraph -from crystal_toolkit.core.scene import Scene, Cylinders + +from crystal_toolkit.core.scene import Cylinders, Scene + def get_migrationgraph_scene( self, @@ -19,13 +18,19 @@ def get_migrationgraph_scene( result_scene = self.structure.get_scene() hop_contents = [] for one_hop in self.unique_hops.values(): - hop_cyl = Cylinders(positionPairs=[[list(one_hop["ipos_cart"]), list(one_hop["epos_cart"])]], radius=0.2, visible=True) + hop_cyl = Cylinders( + positionPairs=[[list(one_hop["ipos_cart"]), list(one_hop["epos_cart"])]], + radius=0.25, + ) hop_contents.append(hop_cyl) result_scene.contents.append( - Scene(name="hops", origin=result_scene.contents[0].origin, contents=hop_contents) + Scene( + name="hops", origin=result_scene.contents[0].origin, contents=hop_contents + ) ) print(result_scene.contents[-1]) return result_scene -MigrationGraph.get_scene = get_migrationgraph_scene \ No newline at end of file + +MigrationGraph.get_scene = get_migrationgraph_scene