init file change + example app setup

Author: hmlli

crystal_toolkit/apps/examples/LiMnP2O7_mg.json

@@ -0,0 +1,35 @@
+
+import dash
+from dash import html
+from dash_mp_components import CrystalToolkitScene
+from monty.serialization import loadfn
+
+import crystal_toolkit.components as ctc
+from crystal_toolkit.settings import SETTINGS
+
+app = dash.Dash(assets_folder=SETTINGS.ASSETS_PATH)
+
+# create the MigrationGraph object
+mg = loadfn("LiMnP2O7_mg.json")
+
+# create the Crystal Toolkit component
+# no MigrationGraph component yet
+component = ctc.StructureMoleculeComponent(mg.structure, id="my_structure")
+test_scene = mg.get_scene()
+
+# example layout
+my_layout = html.Div(
+    [html.Div([CrystalToolkitScene(data=test_scene.to_json())])],
+    style=dict(
+        margin="2em auto", display="grid", placeContent="center", placeItems="center"
+    ),
+)
+
+# tell crystal toolkit about your app and layout
+ctc.register_crystal_toolkit(app, layout=my_layout)
+
+# run this app with "python path/to/this/file.py"
+# in production, deploy behind gunicorn or similar
+# see Dash documentation for more information
+if __name__ == "__main__":
+    app.run_server(debug=True, port=8050)

crystal_toolkit/apps/examples/migrationgraph.py

@@ -1,4 +1,5 @@
 from crystal_toolkit.renderables.lattice import Lattice as Lattice
+from crystal_toolkit.renderables.migrationgraph import MigrationGraph as MigrationGraph
 from crystal_toolkit.renderables.molecule import Molecule as Molecule
 from crystal_toolkit.renderables.moleculegraph import MoleculeGraph as MoleculeGraph
 from crystal_toolkit.renderables.phasediagram import PhaseDiagram as PhaseDiagram