Merge branch 'main' into feature/integrate-with-structuremanager-widget

superstar54 · Mar 4, 2024 · 0f90bc3 · 0f90bc3
2 parents 24ff530 + 43d39f7
commit 0f90bc3
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diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -1,4 +1,4 @@
-sphinx_rtd_theme==1.2.2
-nbsphinx==0.9.2
+sphinx_rtd_theme==2.0.0
+nbsphinx==0.9.3
 ipython
 ase
diff --git a/docs/source/camera.rst b/docs/source/camera.rst
@@ -0,0 +1,18 @@
+===================
+Camera
+===================
+
+Setting
+=============
+
+One can set the direction and zoom of the camera:
+
+.. code-block:: python
+
+    viewer.cameraSetting = {"direction": [0, 5, 1], "zoom": 2}
+
+
+Camera Type
+=============
+
+For the moment, only orthographic camera is supported.
diff --git a/docs/source/color.rst b/docs/source/color.rst
@@ -21,7 +21,7 @@ Supported style are:
 
 
 Color by attribute
-----------------
+----------------------
 Coloring based on the attribute of the atoms. The attribute can be: charge, magmom, or any other attribute in the structure.
 
 Here we show how to color the atoms by their forces.

diff --git a/docs/source/index.rst b/docs/source/index.rst
@@ -32,6 +32,7 @@ A widget to visualize and interact with atomistic structures in Jupyter Notebook
    mesh_primitive
    search_operator
    selection
+   camera
    gallery
 
 

diff --git a/docs/source/quick_start.ipynb b/docs/source/quick_start.ipynb
@@ -282,10 +282,26 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 1,
    "id": "36503e95",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "b7d69dd0dc3a415b8a3be9d6f260b134",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "WeasWidget(atomScales=[1, 1, 1], atoms={'species': {'O': ['O', 8], 'H': ['H', 1]}, 'cell': [10.222218836840568…"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
    "source": [
     "from weas_widget import WeasWidget\n",
     "from ase.io.cube import read_cube_data\n",
@@ -412,36 +428,6 @@
     "viewer.download_image(\"filename.png\")"
    ]
   },
-  {
-   "cell_type": "markdown",
-   "id": "be15f588",
-   "metadata": {},
-   "source": [
-    "## Save image\n",
-    "One can save the image automatically:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4f8fbf72",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# set the camera setting\n",
-    "from ase.build import molecule\n",
-    "from weas_widget import WeasWidget\n",
-    "# home directory\n",
-    "import os\n",
-    "home = os.path.expanduser(\"~\")\n",
-    "viewer = WeasWidget()\n",
-    "atoms = molecule(\"C2H6SO\")\n",
-    "viewer.from_ase(atoms)\n",
-    "viewer.cameraSetting = {\"direction\": [0, 2, 1], \"zoom\": 0.8}\n",
-    "display(viewer)\n",
-    "viewer.save_image(home+\"/test.png\")\n"
-   ]
-  },
   {
    "cell_type": "markdown",
    "id": "b854bffa-3ef6-4dd2-bfc5-73856d7b1076",

diff --git a/src/weas_widget/__init__.py b/src/weas_widget/__init__.py
@@ -181,4 +181,3 @@ def _save_image():
     def _observe_structure(self, change):
         if self.structure is not None:
             self.from_ase(self.structure)
-