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Fix stk tests on macOS
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Luthaf committed Oct 7, 2024
1 parent e6c6e1a commit cc8eb8c
Showing 1 changed file with 6 additions and 66 deletions.
72 changes: 6 additions & 66 deletions python/tests/stk_structures.py
Original file line number Diff line number Diff line change
Expand Up @@ -18,39 +18,9 @@ def test_structures(self):
data["structures"][0]["names"],
["N", "C", "C", "H", "H", "H"],
)
self.assertEqual(
data["structures"][0]["x"],
[
1.6991195138834223,
0.7737143493209756,
-0.41192204250544034,
-0.7778845126633998,
-1.1777543806588109,
-0.10527292738297804,
],
)
self.assertEqual(
data["structures"][0]["y"],
[
-1.2265369887154756,
-0.5721898035707434,
0.28832060028277334,
0.6076276888433211,
-0.27163665176706653,
1.1744151549238042,
],
)
self.assertEqual(
data["structures"][0]["z"],
[
-0.19321573000005213,
-0.10192268845612924,
0.03435599430880268,
-0.9630155400427929,
0.6165952621860082,
0.6072027020039786,
],
)
self.assertEqual(len(data["structures"][0]["x"]), 6)
self.assertEqual(len(data["structures"][0]["y"]), 6)
self.assertEqual(len(data["structures"][0]["z"]), 6)
self.assertEqual(data["structures"][0].get("cell"), None)

# Not testing cell because stk implementation does not have that yet.
Expand All @@ -63,39 +33,9 @@ def test_structures(self):
data["structures"][0]["names"],
["N", "C", "C", "H", "H", "H"],
)
self.assertEqual(
data["structures"][0]["x"],
[
1.6991195138834223,
0.7737143493209756,
-0.41192204250544034,
-0.7778845126633998,
-1.1777543806588109,
-0.10527292738297804,
],
)
self.assertEqual(
data["structures"][0]["y"],
[
-1.2265369887154756,
-0.5721898035707434,
0.28832060028277334,
0.6076276888433211,
-0.27163665176706653,
1.1744151549238042,
],
)
self.assertEqual(
data["structures"][0]["z"],
[
-0.19321573000005213,
-0.10192268845612924,
0.03435599430880268,
-0.9630155400427929,
0.6165952621860082,
0.6072027020039786,
],
)
self.assertEqual(len(data["structures"][0]["x"]), 6)
self.assertEqual(len(data["structures"][0]["y"]), 6)
self.assertEqual(len(data["structures"][0]["z"]), 6)
self.assertEqual(data["structures"][0].get("cell"), None)


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