generalised metric weights into build_components.py and base_app.py

Author: joehart2001

ml_peg/app/base_app.py

@@ -8,7 +8,10 @@
 from dash.development.base_component import Component
 from dash.html import Div
 
-from ml_peg.app.utils.build_components import build_test_layout
+from ml_peg.app.utils.build_components import (
+    build_metric_weight_components,
+    build_test_layout,
+)
 from ml_peg.app.utils.load import rebuild_table
 
 
@@ -74,12 +77,18 @@ def build_layout(self) -> Div:
             Div component with list all components for app.
         """
         # Define all components/placeholders
+        # Auto-append metric-weight controls for this benchmark table
+        metric_weights = build_metric_weight_components(self.table)
+        extra_components = [metric_weights]
+        if self.extra_components:
+            extra_components.extend(self.extra_components)
+
         return build_test_layout(
             name=self.name,
             description=self.description,
             docs_url=self.docs_url,
             table=self.table,
-            extra_components=self.extra_components,
+            extra_components=extra_components,
         )
 
     @abstractmethod

ml_peg/app/nebs/li_diffusion/app_li_diffusion.py

@@ -2,8 +2,6 @@
 
 from __future__ import annotations
 
-import json
-
 from dash import Dash
 from dash.html import Div
 
@@ -13,7 +11,6 @@
     plot_from_table_cell,
     struct_from_scatter,
 )
-from ml_peg.app.utils.build_components import build_weight_components
 from ml_peg.app.utils.load import read_plot
 from ml_peg.calcs.models.models import MODELS
 
@@ -76,29 +73,12 @@ def get_app() -> LiDiffusionApp:
     LiDiffusionApp
         Benchmark layout and callback registration.
     """
-    # Build metric weight components (sliders + inputs) for Li diffusion metrics
-    with open(DATA_PATH / "li_diffusion_metrics_table.json") as f:
-        table_json = json.load(f)
-    metric_columns = [
-        c["id"]
-        for c in table_json["columns"]
-        if c["id"] not in ("MLIP", "Score", "Rank", "id")
-    ]
-
-    metric_weights = build_weight_components(
-        header="Metric weights",
-        columns=metric_columns,
-        input_ids=[f"{BENCHMARK_NAME}-{c.replace(' ', '-')}" for c in metric_columns],
-        table_id=f"{BENCHMARK_NAME}-table",
-    )
-
     return LiDiffusionApp(
         name=BENCHMARK_NAME,
         description=("Performance in predicting energy barriers for Li diffision."),
         docs_url=DOCS_URL,
         table_path=DATA_PATH / "li_diffusion_metrics_table.json",
         extra_components=[
-            metric_weights,
             Div(id=f"{BENCHMARK_NAME}-figure-placeholder"),
             Div(id=f"{BENCHMARK_NAME}-struct-placeholder"),
         ],

ml_peg/app/surfaces/OC157/app_OC157.py

@@ -2,8 +2,6 @@
 
 from __future__ import annotations
 
-import json
-
 from dash import Dash
 from dash.html import Div
 import numpy as np
@@ -14,7 +12,6 @@
     plot_from_table_column,
     struct_from_scatter,
 )
-from ml_peg.app.utils.build_components import build_weight_components
 from ml_peg.app.utils.load import read_plot
 from ml_peg.calcs.models.models import MODELS
 
@@ -68,22 +65,6 @@ def get_app() -> OC157App:
     OC157App
         Benchmark layout and callback registration.
     """
-    # Build metric weight components (sliders + inputs) for OC157 metrics
-    with open(DATA_PATH / "oc157_metrics_table.json") as f:
-        table_json = json.load(f)
-    metric_columns = [
-        c["id"]
-        for c in table_json["columns"]
-        if c["id"] not in ("MLIP", "Score", "Rank", "id")
-    ]
-
-    metric_weights = build_weight_components(
-        header="Metric weights",
-        columns=metric_columns,
-        input_ids=[f"{BENCHMARK_NAME}-{c.replace(' ', '-')}" for c in metric_columns],
-        table_id=f"{BENCHMARK_NAME}-table",
-    )
-
     return OC157App(
         name=BENCHMARK_NAME,
         description=(
@@ -93,7 +74,6 @@ def get_app() -> OC157App:
         docs_url=DOCS_URL,
         table_path=DATA_PATH / "oc157_metrics_table.json",
         extra_components=[
-            metric_weights,
             Div(id=f"{BENCHMARK_NAME}-figure-placeholder"),
             Div(id=f"{BENCHMARK_NAME}-struct-placeholder"),
         ],

ml_peg/app/surfaces/S24/app_S24.py

@@ -2,8 +2,6 @@
 
 from __future__ import annotations
 
-import json
-
 from dash import Dash
 from dash.html import Div
 
@@ -13,7 +11,6 @@
     plot_from_table_column,
     struct_from_scatter,
 )
-from ml_peg.app.utils.build_components import build_weight_components
 from ml_peg.app.utils.load import read_plot
 from ml_peg.calcs.models.models import MODELS
 
@@ -63,22 +60,6 @@ def get_app() -> S24App:
     S24App
         Benchmark layout and callback registration.
     """
-    # Build metric weight components (sliders + inputs) for S24 metrics
-    with open(DATA_PATH / "s24_metrics_table.json") as f:
-        table_json = json.load(f)
-    metric_columns = [
-        c["id"]
-        for c in table_json["columns"]
-        if c["id"] not in ("MLIP", "Score", "Rank", "id")
-    ]
-
-    metric_weights = build_weight_components(
-        header="Metric weights",
-        columns=metric_columns,
-        input_ids=[f"{BENCHMARK_NAME}-{c.replace(' ', '-')}" for c in metric_columns],
-        table_id=f"{BENCHMARK_NAME}-table",
-    )
-
     return S24App(
         name=BENCHMARK_NAME,
         description=(
@@ -88,7 +69,6 @@ def get_app() -> S24App:
         docs_url=DOCS_URL,
         table_path=DATA_PATH / "s24_metrics_table.json",
         extra_components=[
-            metric_weights,
             Div(id=f"{BENCHMARK_NAME}-figure-placeholder"),
             Div(id=f"{BENCHMARK_NAME}-struct-placeholder"),
         ],

ml_peg/app/surfaces/elemental_slab_oxygen_adsorption/app_elemental_slab_oxygen_adsorption.py

@@ -2,8 +2,6 @@
 
 from __future__ import annotations
 
-import json
-
 from dash import Dash
 from dash.html import Div
 
@@ -13,7 +11,6 @@
     plot_from_table_column,
     struct_from_scatter,
 )
-from ml_peg.app.utils.build_components import build_weight_components
 from ml_peg.app.utils.load import read_plot
 from ml_peg.calcs.models.models import MODELS
 
@@ -63,22 +60,6 @@ def get_app() -> ElementalSlabOxygenAdsorptionApp:
     ElementalSlabOxygenAdsorptionApp
         Benchmark layout and callback registration.
     """
-    # Build metric weight components (sliders + inputs) for metrics
-    with open(DATA_PATH / "elemental_slab_oxygen_adsorption_metrics_table.json") as f:
-        table_json = json.load(f)
-    metric_columns = [
-        c["id"]
-        for c in table_json["columns"]
-        if c["id"] not in ("MLIP", "Score", "Rank", "id")
-    ]
-
-    metric_weights = build_weight_components(
-        header="Metric weights",
-        columns=metric_columns,
-        input_ids=[f"{BENCHMARK_NAME}-{c.replace(' ', '-')}" for c in metric_columns],
-        table_id=f"{BENCHMARK_NAME}-table",
-    )
-
     return ElementalSlabOxygenAdsorptionApp(
         name=BENCHMARK_NAME,
         description=(
@@ -88,7 +69,6 @@ def get_app() -> ElementalSlabOxygenAdsorptionApp:
         docs_url=DOCS_URL,
         table_path=DATA_PATH / "elemental_slab_oxygen_adsorption_metrics_table.json",
         extra_components=[
-            metric_weights,
             Div(id=f"{BENCHMARK_NAME}-figure-placeholder"),
             Div(id=f"{BENCHMARK_NAME}-struct-placeholder"),
         ],

ml_peg/app/utils/build_components.py

@@ -205,3 +205,57 @@ def build_test_layout(
         layout_contents.extend(extra_components)
 
     return Div(layout_contents)
+
+
+def build_metric_weight_components(
+    table: DataTable, header: str = "Metric weights"
+) -> Div:
+    """
+    Build metric-weight sliders and inputs for a benchmark table.
+
+    Parameters
+    ----------
+    table
+        Benchmark results DataTable.
+    header
+        Header label shown above the sliders. Default is "Metric weights".
+
+    Returns
+    -------
+    Div
+        Div containing sliders, inputs, reset button and weight store.
+    """
+    # Identify metric columns (exclude reserved columns)
+    reserved = {"MLIP", "Score", "Rank", "id"}
+    metric_columns = [
+        col["id"] for col in table.columns if col.get("id") not in reserved
+    ]
+
+    if not metric_columns:
+        return Div()
+
+    # Use table id to generate unique input ids
+    def _safe(col: str) -> str:
+        """
+        Make a safe suffix by replacing spaces with hyphens.
+
+        Parameters
+        ----------
+        col
+            Column name to sanitise.
+
+        Returns
+        -------
+        str
+            Sanitised column suffix.
+        """
+        return col.replace(" ", "-")
+
+    input_ids = [f"{table.id}-{_safe(col)}" for col in metric_columns]
+
+    return build_weight_components(
+        header=header,
+        columns=metric_columns,
+        input_ids=input_ids,
+        table_id=table.id,
+    )