embedded some jupyter notebooks but still needs iteration

cersonsky-lab · Dec 13, 2024 · e91165c · e91165c
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diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -1,6 +1,9 @@
 # sphinx dependencies
 Sphinx==7.2.6
 sphinx-rtd-theme==2.0.0
+sphinx-gallery  # convert python files into nice documentation
+sphinx-tabs     # tabs for code examples (one tab per language)
+
 
 --find-links https://download.pytorch.org/whl/torch_stable.html
 torch==1.11.0+cpu

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -25,8 +25,15 @@
     "sphinx.ext.napoleon",
     "sphinx.ext.mathjax",
     "sphinx.ext.coverage",
+    "sphinx_tabs.tabs",
+    "sphinx_gallery.gen_gallery"
 ]
 
+sphinx_gallery_conf = {
+    'examples_dirs': '../../notebooks',   # path to your example scripts
+    'gallery_dirs': 'auto_examples',  # path to where to save gallery generated output
+}
+
 sys.path.insert(0, os.path.abspath("../../"))
 
 templates_path = ["_templates"]

diff --git a/docs/source/examples.rst b/docs/source/examples.rst
@@ -3,9 +3,37 @@ Examples
 
 Here is a collection of examples that may prove useful.
 
-The first example is a minimal example demonstrating how to create an AniSOAP vector from an ase.Atoms object. It also demonstrates the rotational and translational invariance.
+The 1st example is a minimal example demonstrating how to create an AniSOAP vector from an ase.Atoms object. It also demonstrates the rotational and translational invariance.
+
+The 2nd example is an example demonstrating how AniSOAP can be used to coarse-grain benzene and learn benzene crystal energies through linear regression.
+
+.. tabs::
+
+    .. group-tab:: Example 1: Invariance
+
+        .. container:: sphx-glr-footer sphx-glr-footer-example
+
+            .. container:: sphx-glr-download sphx-glr-download-jupyter
+
+                :download:`Download Jupyter notebook for this example: Invariances_of_powerspectrum.ipynb <../../notebooks/invariances_example/Invariances_of_powerspectrum.ipynb>`
+
+        .. include:: ../../notebooks/invariances_example/Invariances_of_powerspectrum.ipynb
+            :start-after: start-body
+            :end-before: end-body
+
+    .. group-tab:: Example 2: Benzene Crystals (NEED TO INCLUDE NOTEBOOK)
+
+        .. container:: sphx-glr-footer sphx-glr-footer-example
+
+            .. container:: sphx-glr-download sphx-glr-download-jupyter
+
+                :download:`Download Jupyter notebook for this example: benzene_crystals.ipynb <../../notebooks/invariances_example/Invariances_of_powerspectrum.ipynb>`
+
+        .. include:: ../../notebooks/invariances_example/Invariances_of_powerspectrum.ipynb
+            :start-after: start-body
+            :end-before: end-body
+
 
-The second example is an example demonstrating how AniSOAP can be used to coarse-grain benzene and learn benzene crystal energies through linear regression.
 
 .. Note::