update test (calrify)

zincware · Jan 19, 2024 · ee249de · ee249de
1 parent e3a3c47
commit ee249de
Showing 1 changed file with 12 additions and 0 deletions.
diff --git a/tests/test_znframe.py b/tests/test_znframe.py
@@ -71,6 +71,18 @@ def test_to_json(ammonia):
 
 
 def test_water_with_calc(waterWithCalc):
+    assert "forces" in waterWithCalc.calc.results
+    assert "stress" in waterWithCalc.calc.results
+    assert "energy" in waterWithCalc.calc.results
+
+    assert "forces" not in waterWithCalc.info
+    assert "stress" not in waterWithCalc.arrays
+    assert "energy" not in waterWithCalc.arrays
+
+    assert "forces" not in waterWithCalc.arrays
+    assert "stress" not in waterWithCalc.info
+    assert "energy" not in waterWithCalc.info
+
     frame = Frame.from_atoms(waterWithCalc)
     intersection = set(frame.info) & set(frame.arrays)
     if intersection: