Merge pull request #213 from sparks-baird/sgbaird-patch-5

try iterating through 3d matrix
sparks-baird · Jul 1, 2023 · 3c802a7 · 3c802a7
2 parents 04841cf + 993035c
commit 3c802a7
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/xtal2png/core.py b/src/xtal2png/core.py
@@ -840,7 +840,8 @@ def structures_to_arrays(
                         raise ValueError(
                             f"Expected square matrix in last two dimensions, received {d.shape}"  # noqa: E501
                         )
-                    d[np.tril_indices(d.shape[1])] = 0.0
+                    for sq in d:
+                        sq[np.tril_indices(d.shape[1])] = 0.0
             else:
                 data[id_data == id_mapper[mask_type]] = 0.0