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nglviewer · Dec 17, 2024 · 53daa83 · 53daa83
1 parent 198c103
commit 53daa83
Showing 1 changed file with 19 additions and 59 deletions.
diff --git a/notebooks/molstarview_trajectory_player.ipynb b/notebooks/molstarview_trajectory_player.ipynb
@@ -2,26 +2,13 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "9a1cea1e38644ea8aca1813ed5196761",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": []
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
+   "outputs": [],
    "source": [
     "from nglview.widget_molstar import MolstarView\n",
     "import nglview as nv\n",
-    "\n",
+    "from ipywidgets import HBox\n",
     "\n",
     "class FiveFrameTrajectory(nv.SimpletrajTrajectory):\n",
     "    @property\n",
@@ -31,69 +18,42 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 1,
    "metadata": {},
    "outputs": [
     {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "31eea2a9c5dc46a3bf52df9d724c507a",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "MolstarView()"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
+     "ename": "NameError",
+     "evalue": "name 'FiveFrameTrajectory' is not defined",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
+      "\u001b[0;31mNameError\u001b[0m                                 Traceback (most recent call last)",
+      "Cell \u001b[0;32mIn[1], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m traj \u001b[38;5;241m=\u001b[39m \u001b[43mFiveFrameTrajectory\u001b[49m(nv\u001b[38;5;241m.\u001b[39mdatafiles\u001b[38;5;241m.\u001b[39mXTC, nv\u001b[38;5;241m.\u001b[39mdatafiles\u001b[38;5;241m.\u001b[39mPDB)\n\u001b[1;32m      3\u001b[0m view \u001b[38;5;241m=\u001b[39m MolstarView()\n\u001b[1;32m      4\u001b[0m view\u001b[38;5;241m.\u001b[39madd_trajectory(traj) \u001b[38;5;66;03m# having data\u001b[39;00m\n",
+      "\u001b[0;31mNameError\u001b[0m: name 'FiveFrameTrajectory' is not defined"
+     ]
     }
    ],
    "source": [
     "traj = FiveFrameTrajectory(nv.datafiles.XTC, nv.datafiles.PDB)\n",
     "\n",
     "view = MolstarView()\n",
-    "view.add_trajectory(traj)\n",
-    "view"
+    "view.add_trajectory(traj) # having data\n",
+    "view2 = MolstarView() # Expected to be empty\n",
+    "HBox([view, view2])"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "view.set_coordinates({0: traj.get_coordinates(4)})\n"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "83c1a31ff6bc414caae9e3b574e35b4c",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "MolstarView()"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "view2 = MolstarView()\n",
-    "view2"
+    "view.set_coordinates({0: traj.get_coordinates(7)})\n"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [