Add example to reverse-lookup ITA number for HM symbol

.github/workflows/ci-python.yaml

@@ -52,9 +52,7 @@ jobs:
           set -e
           uv pip install --system --no-index --find-links dist moyopy
           uv pip install --system moyopy[interface]
-          python moyopy/examples/basic.py
-          python moyopy/examples/space_group_type.py
-          python moyopy/examples/pymatgen_structure.py
+          find moyopy/examples -name "*.py" | xargs -I {} python {}
 
   linux:
     runs-on: ubuntu-latest

README.md

@@ -14,8 +14,8 @@ A fast and robust crystal symmetry finder, written in Rust.
     <figcaption><a href="bench/mp/analysis.ipynb">Several times faster symmetry detection than Spglib for Materials Project dataset</a></figcaption>
 </figure>
 
-- Rust support available via [crates.io](https://crates.io/crates/moyo)
-- Python support available via [PyPI](https://pypi.org/project/moyopy/)
+- Rust support available via [crates.io](https://crates.io/crates/moyo): [Docs](https://docs.rs/moyo/latest/moyo/)
+- Python support available via [PyPI](https://pypi.org/project/moyopy/): [Docs](https://spglib.github.io/moyo/python/)
 
 ## Interfaces
 

moyopy/docs/examples/index.md

@@ -16,3 +16,8 @@ You can access the space-group classification information using {py:class}`moyop
 
 ```{literalinclude} ../../examples/space_group_type.py
 ```
+
+You can reverse-lookup an ITA space group number from a Hermann-Mauguin symbol by looping over {py:class}`moyopy.SpaceGroupType`.
+
+```{literalinclude} ../../examples/hm_to_number.py
+```

moyopy/examples/hm_to_number.py

@@ -0,0 +1,12 @@
+# ruff: noqa: E501
+from moyopy import SpaceGroupType
+
+map_hm_short_to_number = {
+    # SpaceGroupType(number).hm_short is separated by a space like "F m -3 m"
+    SpaceGroupType(number).hm_short.replace(" ", ""): number
+    for number in range(1, 230 + 1)
+}
+
+print(map_hm_short_to_number.get("Fm-3m"))  # -> 225
+print(map_hm_short_to_number.get("P6_3/m"))  # -> 176
+print(map_hm_short_to_number.get("Fmmm"))  # -> 69