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chore: tests wip
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VsevolodX committed Sep 9, 2024
1 parent c539a58 commit 8b98fa6
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Showing 2 changed files with 6 additions and 1 deletion.
6 changes: 5 additions & 1 deletion tests/py/unit/fixtures.py
Original file line number Diff line number Diff line change
Expand Up @@ -551,13 +551,15 @@
bulk=Material(GRAPHENE),
miller_indices=(0, 0, 1),
thickness=1,
use_orthogonal_z=True,
)

NICKEL_SLAB_CONFIGURATION = SlabConfiguration(
bulk=Material(NICKEL),
miller_indices=(1, 1, 1),
thickness=3,
vacuum=1,
vacuum=3,
use_orthogonal_z=True,
)

GRAPHENE_FILM_TERMINATION = get_terminations(GRAPHENE_FILM_CONFIGURATION)[0]
Expand All @@ -567,6 +569,8 @@
substrate_configuration=NICKEL_SLAB_CONFIGURATION,
film_termination=GRAPHENE_FILM_TERMINATION,
substrate_termination=NICKEL_SLAB_TERMINATION,
distance_z=3.0,
vacuum=5.0,
)

ZSL_BUILDER = ZSLStrainMatchingInterfaceBuilder(
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1 change: 1 addition & 0 deletions tests/py/unit/test_tools_modify.py
Original file line number Diff line number Diff line change
Expand Up @@ -187,5 +187,6 @@ def test_displace_interface():
displaced_material = displace_interface(
material, [0.1, 0.2, 0.3], InterfacePartsEnum.FILM, use_cartesian_coordinates=False
)
print(displaced_material.to_json())
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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