fix for changes to main

Author: ThomasWarford

mlip_testing/app/surfaces/elemental_slab_oxygen_adsorption/app_elemental_slab_oxygen_adsorption.py

@@ -1,4 +1,4 @@
-"""Run S24 app."""
+"""Run elemental_slab_oxygen_adsorption app."""
 
 from __future__ import annotations
 
@@ -17,11 +17,11 @@
 from mlip_testing.calcs.models.models import MODELS
 
 BENCHMARK_NAME = Path(__file__).name.removeprefix("app_").removesuffix(".py")
-DATA_PATH = APP_ROOT / "data" / "surfaces" / "S24"
+DATA_PATH = APP_ROOT / "data" / "surfaces" / "elemental_slab_oxygen_adsorption"
 
 
-class S24App(BaseApp):
-    """S24 benchmark app layout and callbacks."""
+class ElementalSlabOxygenAdsorptionApp(BaseApp):
+    """Elemental slab oxygen adsorption benchmark app layout and callbacks."""
 
     def register_callbacks(self) -> None:
         """Register callbacks to app."""
@@ -34,7 +34,7 @@ def register_callbacks(self) -> None:
 
         # Assets dir will be parent directory
         structs = [
-            f"assets/surfaces/S24/{list(MODELS.keys())[0]}/{struct_file.stem}.xyz"
+            f"assets/surfaces/elemental_slab_oxygen_adsorption/{list(MODELS.keys())[0]}/{struct_file.stem}.xyz"
             for struct_file in sorted(structs_dir.glob("*.xyz"))
         ]
 
@@ -52,23 +52,23 @@ def register_callbacks(self) -> None:
         )
 
 
-def get_app() -> S24App:
+def get_app() -> ElementalSlabOxygenAdsorptionApp:
     """
-    Get S24 benchmark app layout and callback registration.
+    Get elemental_slab_oxygen_adsorption benchmark app layout and callback registration.
 
     Returns
     -------
-    S24App
+    ElementalSlabOxygenAdsorptionApp
         Benchmark layout and callback registration.
     """
-    return S24App(
+    return ElementalSlabOxygenAdsorptionApp(
         name=BENCHMARK_NAME,
-        title="S24",
+        title="Elemental Slab Oxygen Adsorption",
         description=(
-            "Performance in predicting adsorption energies for 24 "
-            "molecule-surface combinations."
+            "Performance in predicting adsorption energies of oxygen "
+            "on elemental slabs."
         ),
-        table_path=DATA_PATH / "s24_metrics_table.json",
+        table_path=DATA_PATH / "elemental_slab_oxygen_adsorption_metrics_table.json",
         extra_components=[
             Div(id=f"{BENCHMARK_NAME}-figure-placeholder"),
             Div(id=f"{BENCHMARK_NAME}-struct-placeholder"),
@@ -81,9 +81,9 @@ def get_app() -> S24App:
     full_app = Dash(__name__, assets_folder=DATA_PATH.parent.parent)
 
     # Construct layout and register callbacks
-    s24_app = get_app()
-    full_app.layout = s24_app.layout
-    s24_app.register_callbacks()
+    elemental_slab_oxygen_adsorption_app = get_app()
+    full_app.layout = elemental_slab_oxygen_adsorption_app.layout
+    elemental_slab_oxygen_adsorption_app.register_callbacks()
 
     # Run app
     full_app.run(port=8052, debug=True)