import operations

Luthaf · Jul 8, 2024 · cda9c77 · cda9c77
1 parent 5e9230f
commit cda9c77
Showing 1 changed file with 8 additions and 8 deletions.
diff --git a/python/rascaline/rascaline/utils/clebsch_gordan/_utils.py b/python/rascaline/rascaline/utils/clebsch_gordan/_utils.py
@@ -7,7 +7,7 @@
 from typing import List, Optional, Tuple, Union
 
 from .. import _dispatch
-from .._backend import Array, Labels, TensorBlock, TensorMap, is_labels
+from .._backend import Array, Labels, TensorBlock, TensorMap, is_labels, operations
 from . import _coefficients
 
 
@@ -705,10 +705,10 @@ def _broadcast_first_block_samples(
     """
     Broadcasts the values tensor of ``block_1`` along the samples dimension to match
     those of ``block_2`` and returns the modified :py:class:`TensorBlock`.
-    
+
     Assumes that ``block_1`` has samples that are a subset of those of ``block_2``, and
-    are matching in the dimensions named in ``match_samples``. 
-    
+    are matching in the dimensions named in ``match_samples``.
+
     Returns ``block_1`` with the same samples metadata as ``block_2`` and broadcasted
     values along this axis.
     """
@@ -737,7 +737,9 @@ def _symmetrise_permutations(pairs: TensorMap) -> TensorMap:
     Symmetrise the permutations of the samples in the pairwise SphericalExpansion.
     """
     raise NotImplementedError("This function is not yet implemented.")
-    new_pairs = operations.insert_dimension(pairs, axis="samples", index=len(pairs.sample_names), name="sign", values=1)
+    new_pairs = operations.insert_dimension(
+        pairs, axis="samples", index=len(pairs.sample_names), name="sign", values=1
+    )
 
     new_blocks = []
 
@@ -759,7 +761,7 @@ def _symmetrise_permutations(pairs: TensorMap) -> TensorMap:
 
             if i == j and x == 0 and y == 0 and z == 0:  # on-site
                 continue
-            
+
             # Create the negative label and append the negative permutation
             negative_label = torch.tensor([A, j, i, x, y, z, -sign], dtype=torch.int32)
             new_samples.append(sample.values)
@@ -770,7 +772,6 @@ def _symmetrise_permutations(pairs: TensorMap) -> TensorMap:
             # new_samples.append(negative_label)
             # new_values.append(block.values[block.samples.])
 
-
         new_block = mts.TensorBlock(
             values=new_values,
             samples=new_samples,
@@ -779,7 +780,6 @@ def _symmetrise_permutations(pairs: TensorMap) -> TensorMap:
         )
         new_blocks.append(new_block)
 
-
     new_pairs = mts.TensorMap(pairs.keys, new_blocks)
 
     return mts.sort(new_pairs)