doc strings

Author: janosh

crystal_toolkit/apps/examples/basic_hello_structure_interactive.py

@@ -40,6 +40,7 @@
     Input("change_structure_button", "n_clicks"),
 )
 def update_structure(n_clicks):
+    """Toggle between hexagonal and cubic structures on button click."""
     return structures[n_clicks % 2]
 
 

crystal_toolkit/apps/examples/diffraction_dynamic.py

@@ -24,6 +24,7 @@
 
 @app.callback(Output(xrd_component.id(), "data"), Input(load_btn, "n_clicks"))
 def load_structure(n_clicks: int) -> Structure:
+    """Load a cubic structure on button click."""
     structure = Structure(Lattice.cubic(4.2), ["Na", "K"], [[0, 0, 0], [0.5, 0.5, 0.5]])
     return structure
 

crystal_toolkit/apps/examples/kwarg_inputs.py

@@ -62,6 +62,7 @@
     Output("output", "children"), Input(your_component.get_all_kwargs_id(), "value")
 )
 def show_outputs(*args):
+    """Reconstruct the kwargs from the state of the component and display them as string."""
     kwargs = your_component.reconstruct_kwargs_from_state()
 
     return str(kwargs)
@@ -71,6 +72,7 @@ def show_outputs(*args):
     Output("dynamic-inputs", "children"), Input("generate-inputs", "n_clicks")
 )
 def add_inputs(n_clicks):
+    """Add a slider input with random initial value to the layout."""
     if not n_clicks:
         raise PreventUpdate
 

crystal_toolkit/apps/examples/mpcontribs/catalysis.py

@@ -151,7 +151,8 @@ def construct_grid(df, labels):
 
         return fig
 
-    def get_catalysis_explorer(self):
+    def get_catalysis_explorer(self) -> mpc.SearchUIContainer:
+        """Get the Catalysis Explorer app."""
         return mpc.SearchUIContainer(
             [
                 self.search_bar_container(

crystal_toolkit/components/xas.py

@@ -101,27 +101,39 @@ def _sub_layouts(self) -> dict[str, Component]:
 
     @property
     def layout(self) -> html.Div:
+        """Main layout for XAS component."""
         return html.Div(
             [self._sub_layouts["graph"], self._sub_layouts["element_selector"]]
         )
 
     def generate_callbacks(self, app, cache):
+        """Generate callbacks for XAS component.
+
+        Args:
+            app (dash.Dash): Dash app to generate callbacks for.
+            cache (_type_): _description_
+
+        Raises:
+            PreventUpdate: If no data is available.
+
+        Returns:
+            dcc.Graph | MessageContainer: XAS plot or error message.
+        """
+
         @app.callback(Output(self.id("xas-div"), "children"), Input(self.id(), "data"))
         def update_graph(plotdata):
             if not plotdata:
                 raise PreventUpdate
             if plotdata == "error":
-                search_error = (
-                    MessageContainer(
-                        [
-                            MessageBody(
-                                dcc.Markdown(
-                                    "XANES pattern not available for this selection."
-                                )
+                search_error = MessageContainer(
+                    [
+                        MessageBody(
+                            dcc.Markdown(
+                                "XANES pattern not available for this selection."
                             )
-                        ],
-                        kind="warning",
-                    ),
+                        )
+                    ],
+                    kind="warning",
                 )
                 return search_error
             else:

crystal_toolkit/helpers/layouts.py

@@ -65,7 +65,7 @@ def __init__(
         gapless=False,
         multiline=False,
         **kwargs,
-    ):
+    ) -> None:
         _update_css_class(kwargs, "columns")
         if desktop_only:
             kwargs["className"] += " is-desktop"

crystal_toolkit/renderables/volumetric.py

@@ -20,7 +20,7 @@ def get_isosurface_scene(
         step_size (int, optional): step_size parameter for marching_cubes_lewiner. Defaults to 3.
 
     Returns:
-        [type]: [description]
+        Scene: object containing the isosurface component
     """
     import skimage.measure
 
@@ -52,10 +52,10 @@ def get_volumetric_scene(self, data_key="total", isolvl=0.02, step_size=3, **kwa
         isolvl (float, optional): The cutoff for the isosurface to using the same units as VESTA so e/bhor
         and kept grid size independent
         step_size (int, optional): step_size parameter for marching_cubes_lewiner. Defaults to 3.
-        **kwargs: kwargs for the Structure.get_scene function
+        **kwargs: Passed to the Structure.get_scene() function.
 
     Returns:
-        [type]: [description]
+        Scene: object containing the structure and isosurface components
     """
     struct_scene = self.structure.get_scene(**kwargs)
     iso_scene = self.get_isosurface_scene(