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Update test_symmetry.py
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tests/test_symmetry.py

Lines changed: 6 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -126,10 +126,6 @@ def test_get_symmetry(self):
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self.assertAlmostEqual(
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np.linalg.norm(sym.symmetrize_vectors(v) - sym.symmetrize_tensor(v)), 0
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)
129-
sym = stk.analyse.get_symmetry(structure=Al)
130-
tensor = np.zeros((len(Al), 3, len(Al), 3))
131-
tensor[0, 0, 0, 0] = 1
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self.assertAlmostEqual(sym.symmetrize_vectors(tensor)[0, 0, 0, 0], 1)
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134130
def test_symmetrize_tensor(self):
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structure = Atoms(
@@ -156,6 +152,12 @@ def test_symmetrize_tensor(self):
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np.random.randn(4, len(structure), 3, 3, len(structure))
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)
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self.assertEqual(s_tensor.shape, (4, len(structure), 3, 3, len(structure)))
155+
structure_displaced = structure.copy()
156+
structure_displaced.positions[0, 0] += 0.01
157+
sym = stk.analyse.get_symmetry(structure=structure_displaced)
158+
tensor = np.zeros((len(structure_displaced), 3, len(structure_displaced), 3))
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tensor[0, 0, 0, 0] = 1
160+
self.assertAlmostEqual(sym.symmetrize_tensor(tensor)[0, 0, 0, 0], 1)
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160162
def test_get_symmetry_dataset(self):
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cell = 2.2 * np.identity(3)

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