fixed problematic list unpacking, updated flake8 args in action

wolearyc · Aug 22, 2024 · 885b8ff · 885b8ff
1 parent 91f8af5
commit 885b8ff
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
@@ -33,7 +33,7 @@ jobs:
       uses: py-actions/flake8@v2
       with:
         max-line-length: "88"
-        args: "--docstring-convention=numpy"
+        args: "--docstring-convention=numpy --extend-ignore=E203"
         plugins: "flake8-bugbear==24.4.26 flake8-docstrings"
     - name: Test with pytest
       run: |

diff --git a/ramannoodle/polarizability/gnn.py b/ramannoodle/polarizability/gnn.py
@@ -564,7 +564,9 @@ def _get_batch_graph(
         cart_displacement = displacement.matmul(expanded_lattice)
         cart_distance_matrix = torch.sqrt(torch.sum(cart_displacement**2, dim=-1))
 
-        cart_unit_vectors = cart_displacement[*edge_indexes]
+        cart_unit_vectors = cart_displacement[
+            edge_indexes[0], edge_indexes[1], edge_indexes[2]
+        ]  # python 3.10 complains if we use the unpacking operator (*)
         cart_unit_vectors /= torch.linalg.norm(cart_unit_vectors, dim=-1)[:, None]
         distances = cart_distance_matrix[*edge_indexes].view(-1, 1)
         ref_distances = self._ref_distances.repeat((num_samples, 1))