add molecular

pages/01_widget.ipynb

@@ -11,25 +11,51 @@
     "from anywidget_3dviewer import Viewer\n",
     "import solara\n",
     "from pathlib import Path\n",
+    "import molecularnodes as mn\n",
+    "\n",
+    "\n",
     "\n",
     "\n",
     "def make_gltf_model():\n",
     "    bpy.ops.preferences.addon_enable(module=\"io_scene_gltf2\")\n",
+    "\n",
+    "    # Delete all mesh objects from the scene\n",
     "    bpy.ops.object.select_all(action=\"DESELECT\")\n",
     "    bpy.ops.object.select_by_type(type=\"MESH\")\n",
-    "\n",
     "    bpy.ops.object.delete()\n",
-    "    bpy.ops.mesh.primitive_cube_add(size=2, align=\"WORLD\", location=(0, 1, 1))\n",
-    "    cube = bpy.context.active_object\n",
-    "    gltf_path = \"./model_cube.gltf\"\n",
+    "\n",
+    "    obj = mn.load.molecule_rcsb(\"106M\", starting_style=\"cartoon\", center_molecule=True)\n",
+    "    obj.scale = [10, 10, 10]\n",
+    "\n",
+    "    bpy.context.view_layer.objects.active = obj\n",
+    "    obj.modifiers[\"MolecularNodes\"].node_group.nodes[\"MN_color_attribute_random\"].inputs[\"Lightness\"].default_value = 0.5\n",
+    "    obj.modifiers[\"MolecularNodes\"].node_group.nodes[\"MN_color_attribute_random\"].inputs[\"Saturation\"].default_value = 1\n",
+    "    obj.modifiers[\"MolecularNodes\"].node_group.nodes[\"MN_color_attribute_random\"].inputs[\"Seed\"].default_value = 1\n",
+    "\n",
+    "    for modifier in obj.modifiers:\n",
+    "        bpy.ops.object.modifier_apply(modifier=modifier.name)\n",
+    "    bpy.ops.geometry.color_attribute_render_set(name=\"Color\")\n",
+    "\n",
+    "\n",
+    "    # Exporting the model to .glb format for Three.js\n",
+    "    # Specify the path where you want to save the exported model\n",
+    "    gltf_path = Path() / \"_MY_MODEL_DATA.gltf\"\n",
+    "\n",
+    "    bpy.ops.geometry.color_attribute_render_set(name=\"Color\")\n",
+    "\n",
+    "    # Select only the object\n",
     "    bpy.ops.object.select_all(action=\"DESELECT\")\n",
-    "    cube.select_set(True)\n",
+    "    obj.select_set(True)\n",
+    "\n",
+    "    # Export the selected obj object to a .glb file\n",
     "    bpy.ops.export_scene.gltf(\n",
-    "        filepath=gltf_path, export_format=\"GLTF_EMBEDDED\", use_selection=True\n",
+    "        filepath=str(gltf_path), export_format=\"GLTF_EMBEDDED\", use_selection=True\n",
     "    )\n",
-    "    gltf_path = Path() / \"model_cube.gltf\"\n",
-    "    data = gltf_path.read_bytes()\n",
+    "\n",
+    "    data = gltf_path.read_text()\n",
+    "\n",
     "    gltf_path.unlink()\n",
+    "\n",
     "    return data\n",
     "\n",
     "\n",