change structures in basic_hello_structure_interactive.py to be more different so swapping them in callback is more obvious

cleanup unused and unsorted imports

Author: janosh

crystal_toolkit/apps/examples/basic_hello_structure.py

@@ -1,16 +1,15 @@
 # as explained in "preamble" section in documentation
 import dash
 from dash import html
-from dash import dcc
+from pymatgen.core.lattice import Lattice
+from pymatgen.core.structure import Structure
+
 import crystal_toolkit.components as ctc
 
 # app = dash.Dash(external_stylesheets=['https://cdnjs.cloudflare.com/ajax/libs/bulma/0.7.2/css/bulma.min.css'])
 app = dash.Dash()
 
 # create our crystal structure using pymatgen
-from pymatgen.core.structure import Structure
-from pymatgen.core.lattice import Lattice
-
 structure = Structure(Lattice.cubic(4.2), ["Na", "K"], [[0, 0, 0], [0.5, 0.5, 0.5]])
 
 # create the Crystal Toolkit component

crystal_toolkit/apps/examples/basic_hello_structure_interactive.py

@@ -1,21 +1,20 @@
 # as above
 import dash
 from dash import html
-from dash import dcc
-import crystal_toolkit.components as ctc
 
 # standard Dash imports for callbacks (interactivity)
-from dash.dependencies import Input, Output, State
+from dash.dependencies import Input, Output
 from dash.exceptions import PreventUpdate
-
-from pymatgen.core.structure import Structure
 from pymatgen.core.lattice import Lattice
+from pymatgen.core.structure import Structure
+
+import crystal_toolkit.components as ctc
 
 app = dash.Dash()
 
 # now we give a list of structures to pick from
 structures = [
-    Structure(Lattice.cubic(4), ["Na", "Cl"], [[0, 0, 0], [0.5, 0.5, 0.5]]),
+    Structure(Lattice.hexagonal(5, 3), ["Na", "Cl"], [[0, 0, 0], [0.5, 0.5, 0.5]]),
     Structure(Lattice.cubic(5), ["K", "Cl"], [[0, 0, 0], [0.5, 0.5, 0.5]]),
 ]
 

crystal_toolkit/components/__init__.py

@@ -1,42 +1,28 @@
-from crystal_toolkit.core.mpcomponent import MPComponent
-
-register_app = MPComponent.register_app
-register_cache = MPComponent.register_cache
-register_crystal_toolkit = MPComponent.register_crystal_toolkit
-crystal_toolkit_layout = MPComponent.crystal_toolkit_layout
-
-from crystal_toolkit.components.search import SearchComponent
-from crystal_toolkit.components.structure import StructureMoleculeComponent
-
-from crystal_toolkit.components.robocrys import RobocrysComponent
-
-from crystal_toolkit.components.diffraction import (
-    XRayDiffractionComponent,
-    TEMDiffractionComponent,
-)
-
-# from crystal_toolkit.components.xas import XASComponent, XASPanelComponent
-
-# from crystal_toolkit.components.submit_snl import SubmitSNLPanel
-from crystal_toolkit.components.symmetry import SymmetryPanel
-from crystal_toolkit.components.upload import StructureMoleculeUploadComponent
-
 from crystal_toolkit.components.bandstructure import (
     BandstructureAndDosComponent,
     BandstructureAndDosPanelComponent,
 )
+from crystal_toolkit.components.diffraction import (
+    TEMDiffractionComponent,
+    XRayDiffractionComponent,
+)
+from crystal_toolkit.components.localenv import LocalEnvironmentPanel
 
 # from crystal_toolkit.components.phase_diagram import (
 #     PhaseDiagramComponent,
 #     PhaseDiagramPanelComponent,
 # )
 from crystal_toolkit.components.pourbaix import PourbaixDiagramComponent
-from crystal_toolkit.components.localenv import LocalEnvironmentPanel
+from crystal_toolkit.components.robocrys import RobocrysComponent
+from crystal_toolkit.components.search import SearchComponent
+from crystal_toolkit.components.structure import StructureMoleculeComponent
 
-from crystal_toolkit.components.transformations.core import AllTransformationsComponent
+# from crystal_toolkit.components.submit_snl import SubmitSNLPanel
+from crystal_toolkit.components.symmetry import SymmetryPanel
 from crystal_toolkit.components.transformations.autooxistatedecoration import (
     AutoOxiStateDecorationTransformationComponent,
 )
+from crystal_toolkit.components.transformations.core import AllTransformationsComponent
 
 # from crystal_toolkit.components.transformations.cubic import (
 #     CubicSupercellTransformationComponent,
@@ -51,7 +37,18 @@
 from crystal_toolkit.components.transformations.supercell import (
     SupercellTransformationComponent,
 )
+from crystal_toolkit.components.upload import StructureMoleculeUploadComponent
+from crystal_toolkit.core.mpcomponent import MPComponent
+
+# from crystal_toolkit.components.xas import XASComponent, XASPanelComponent
+
 
 # from crystal_toolkit.components.transformations.rattle import (
 #     MonteCarloRattleTransformationComponent,
 # )
+
+
+register_app = MPComponent.register_app
+register_cache = MPComponent.register_cache
+register_crystal_toolkit = MPComponent.register_crystal_toolkit
+crystal_toolkit_layout = MPComponent.crystal_toolkit_layout

crystal_toolkit/components/phase_diagram.py

@@ -1,15 +1,12 @@
-from typing import Optional
-
 import dash
-from dash import dcc
-from dash import html
 import dash_table
 import plotly.graph_objs as go
+from dash import dcc, html
 from dash.dependencies import Input, Output, State
 from dash.exceptions import PreventUpdate
-from pymatgen.ext.matproj import MPRester
 from pymatgen.analysis.phase_diagram import PDEntry, PDPlotter, PhaseDiagram
 from pymatgen.core.composition import Composition
+from pymatgen.ext.matproj import MPRester
 
 from crystal_toolkit.core.mpcomponent import MPComponent
 from crystal_toolkit.core.panelcomponent import PanelComponent
@@ -758,7 +755,7 @@ def title(self):
     def description(self):
         return (
             "Display the compositional phase diagram for the"
-            " chemical system containing this structure (between 2–4 species)."
+            " chemical system containing this structure (between 2-4 species)."
         )
 
     def update_contents(self, new_store_contents, *args):