Flake8 is a tool of the patriarchy

lab-cosmo · Aug 25, 2023 · 1f8644c · 1f8644c
1 parent 38879eb
commit 1f8644c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/python/chemiscope/structures/_ase.py b/python/chemiscope/structures/_ase.py
@@ -321,7 +321,7 @@ def extract_vectors_from_ase(frames, key="forces", **kwargs):
     vectors = []
 
     for f in frames:
-        if not key in f.arrays:
+        if key not in f.arrays:
             raise IndexError(f"Key {key} not found in Atoms frame")
         values = f.arrays[key]
         if len(values.shape) != 2 or values.shape[1] != 3:
@@ -351,7 +351,7 @@ def extract_tensors_from_ase(frames, key="tensor", **kwargs):
     tensors = []
 
     for f in frames:
-        if not key in f.arrays:
+        if key not in f.arrays:
             raise IndexError(f"Key {key} not found in Atoms frame")
         values = f.arrays[key]
         if len(values.shape) != 2 or (values.shape[1] != 6 and values.shape[1] != 9):