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chore: adjsut tests
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VsevolodX committed Sep 13, 2024
1 parent def1ca7 commit 549bea1
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions tests/py/unit/test_tools_modify.py
Original file line number Diff line number Diff line change
Expand Up @@ -198,15 +198,14 @@ def test_displace_interface_optimized():
{"id": 0, "value": [0.666666667, 0.666666667, 0.350869517]},
{"id": 1, "value": [-0.0, 0.0, 0.425701769]},
{"id": 2, "value": [0.333333333, 0.333333333, 0.500534021]},
{"id": 3, "value": [0.111764249, 0.462721628, 0.611447347]},
{"id": 4, "value": [0.445097583, 0.796054962, 0.611447347]},
{"id": 3, "value": [0.285973954, 0.203945038, 0.611447347]},
{"id": 4, "value": [0.619307288, 0.537278372, 0.611447347]},
]
expected_labels = GRAPHENE_NICKEL_INTERFACE["basis"]["labels"]

minima = get_optimal_film_displacement(
optimal_displacement = get_optimal_film_displacement(
material, grid_size_xy=(10, 10), grid_range_x=(-0.5, 0.5), grid_range_y=(-0.5, 0.5)
)
optimal_displacement = minima[0]
displaced_material = displace_interface(material, optimal_displacement, use_cartesian_coordinates=True)
assertion_utils.assert_deep_almost_equal(expected_coordinates, displaced_material.basis.coordinates.to_dict())
assertion_utils.assert_deep_almost_equal(expected_labels, displaced_material.basis.labels.to_dict())

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