adapt to latest mc-react-bands; cleaner interface; bug fixes

osscar-org · Apr 10, 2024 · 63ea071 · 63ea071
1 parent 57b5fd0
commit 63ea071
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Showing 5 changed files with 41 additions and 44 deletions.
diff --git a/examples/example.ipynb b/examples/example.ipynb
@@ -56,11 +56,14 @@
    "outputs": [],
    "source": [
     "w1 = BandsPlotWidget(\n",
-    "    bands=[si_bands],\n",
-    "    dos=si_dos,\n",
-    "    plot_fermilevel = True,\n",
-    "    show_legend = True,\n",
-    "    energy_range = {\"ymin\": -10.0, \"ymax\": 10.0})\n",
+    "    bands = [si_bands],\n",
+    "    dos = si_dos,\n",
+    "    energy_range = [-8.0, 8.0],\n",
+    "    format_settings = {\n",
+    "        \"showFermi\": True,\n",
+    "        \"showLegend\": True,\n",
+    "    }\n",
+    ")\n",
     "display(w1)"
    ]
   },
@@ -80,9 +83,7 @@
     "w2 = BandsPlotWidget(\n",
     "    bands=[co_bands],\n",
     "    dos=co_dos,\n",
-    "    plot_fermilevel = True,\n",
-    "    show_legend = True,\n",
-    "    energy_range = {\"ymin\": -10.0, \"ymax\": 10.0},\n",
+    "    energy_range = [-10.0, 10.0],\n",
     "    bands_color = [[\"red\", \"blue\"]])\n",
     "display(w2)"
    ]
@@ -102,9 +103,8 @@
    "source": [
     "w3 = BandsPlotWidget(\n",
     "    dos=co_dos,\n",
-    "    plot_fermilevel = True,\n",
-    "    show_legend = True,\n",
-    "    energy_range = {\"ymin\": -10.0, \"ymax\": 10.0})\n",
+    "    energy_range = [-10.0, 10.0]\n",
+    ")\n",
     "display(w3)"
    ]
   },
@@ -123,9 +123,8 @@
    "source": [
     "w4 = BandsPlotWidget(\n",
     "    bands=[si_bands],\n",
-    "    plot_fermilevel = True,\n",
-    "    show_legend = True,\n",
-    "    energy_range = {\"ymin\": -10.0, \"ymax\": 10.0})\n",
+    "    energy_range = [-10.0, 10.0]\n",
+    ")\n",
     "display(w4)"
    ]
   },
@@ -145,10 +144,9 @@
     "w5 = BandsPlotWidget(\n",
     "    bands=[si_bands, si_bands_shifted],\n",
     "    dos=si_dos,\n",
-    "    plot_fermilevel = True,\n",
-    "    show_legend = True,\n",
-    "    energy_range = {\"ymin\": -10.0, \"ymax\": 10.0},\n",
-    "    bands_color=['red', 'yellow'])\n",
+    "    energy_range = [-10.0, 10.0],\n",
+    "    bands_color=['red', 'yellow']\n",
+    ")\n",
     "display(w5)"
    ]
   },

diff --git a/js/widget.jsx b/js/widget.jsx
@@ -26,21 +26,21 @@ function isEmptyList(list) {
 }
 
 const render = createRender(() => {
-  const [bandsDatalist, setBandsDatalist] = useModelState("bands");
+  const [bandsDataList, setBandsDataList] = useModelState("bands");
   const [dos, setDos] = useModelState("dos");
-  const [showFermi, setShowFermi] = useModelState("plot_fermilevel");
-  const [showLegend, setShowLegend] = useModelState("show_legend");
-  const [yLimit, setYLimit] = useModelState("energy_range");
-  const [colorInfo, setColorInfo] = useModelState("bands_color");
+  const [energyRange, setEnergyRange] = useModelState("energy_range");
+  const [dosRange, setDosRange] = useModelState("dos_range");
+  const [bandsColorInfo, setBandsColorInfo] = useModelState("bands_color");
+  const [formatSettings, setFormatSettings] = useModelState("format_settings");
+
   return (
     <BandsVisualizer
-      bandsDataList={bandsDatalist}
-      dosData={isEmptyObject(dos) ? undefined : dos}
-      showFermi={showFermi}
-      showLegend={showLegend}
-      yLimit={yLimit}
-      dosRange={[]}
-      colorInfo={isEmptyList(colorInfo) ? undefined : colorInfo}
+      bandsDataList={bandsDataList}
+      dosData={dos}
+      energyRange={energyRange}
+      dosRange={dosRange}
+      bandsColorInfo={bandsColorInfo}
+      formatSettings={formatSettings}
     />
   );
 });

diff --git a/package-lock.json b/package-lock.json
diff --git a/package.json b/package.json
@@ -8,7 +8,7 @@
     "chart.js": "^4.4.2",
     "chartjs-plugin-annotation": "^3.0.1",
     "chartjs-plugin-zoom": "^2.0.1",
-    "mc-react-bands": "^0.4.0",
+    "mc-react-bands": "^0.5.3",
     "react": "^18.2.0",
     "react-dom": "^18.2.0"
   },

diff --git a/src/widget_bandsplot/__init__.py b/src/widget_bandsplot/__init__.py
@@ -14,19 +14,18 @@ class BandsPlotWidget(anywidget.AnyWidget):
     _esm = pathlib.Path(__file__).parent / "static" / "widget.js"
     _css = pathlib.Path(__file__).parent / "static" / "widget.css"
 
-    # List of bandstructure data objects
     bands = tl.List([]).tag(sync=True)
-    # DOS data object
     dos = tl.Dict().tag(sync=True)
-    # Visiblity for the Fermi energy level
-    plot_fermilevel = tl.Bool(False).tag(sync=True)
-    # The Legend for the density of states
-    show_legend = tl.Bool(False).tag(sync=True)
-    # yLimit for the plot
-    energy_range = tl.Dict({"ymin": -10.0, "ymax": 10.0}).tag(sync=True)
-    # The colors for bands data
+    energy_range = tl.List([-10.0, 10.0]).tag(sync=True)
+    dos_range = tl.List([]).tag(sync=True)
     bands_color = tl.List([]).tag(sync=True)
 
+    # Formatting settings:
+    # * showFermi
+    # * showLegend
+    # * bandsYlabel
+    format_settings = tl.Dict({}).tag(sync=True)
+
     def __init__(
         self,
         **kwargs,