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update test
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PythonFZ committed Jan 19, 2024
1 parent 100c517 commit 369b657
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions tests/test_znframe.py
Original file line number Diff line number Diff line change
Expand Up @@ -72,9 +72,9 @@ def test_to_json(ammonia):

def test_water_with_calc(waterWithCalc):
frame = Frame.from_atoms(waterWithCalc)
duplicates = list(set(frame.info["calc"].keys()) & set(frame.arrays.keys()))
if duplicates:
raise ValueError(f"Duplicate keys: {duplicates}")
intersection = set(frame.info) & set(frame.arrays)
if intersection:
raise ValueError(f"Duplicate keys: {intersection}")

assert "forces" in frame.arrays
assert "stress" in frame.info
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