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chore: format
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3 files changed

+8
-4
lines changed

3 files changed

+8
-4
lines changed

tests/metrics/conftest.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -84,7 +84,8 @@
8484
virial_mae=1.52447,
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virial_rmse_natoms=0.109107,
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virial_mae_natoms=0.0660086,
87-
),DirectPredictRecord(
87+
),
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DirectPredictRecord(
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id=5,
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model_name="test_dp",
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task_name="AIMD_Chig",
@@ -244,7 +245,6 @@
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virial_rmse_natoms=None,
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virial_mae_natoms=None,
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),
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]
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250250
RECORDS_CALCULATOR = [

tests/metrics/test_post_process.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -28,7 +28,9 @@ def test_process_results_for_one_model(
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in caplog.text
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)
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assert result["generalizability_force_field_results"]["Weighted"] is None
31-
assert result["generalizability_force_field_results"]["MoS2"]["energy_rmse"] == 500.8
31+
assert (
32+
result["generalizability_force_field_results"]["MoS2"]["energy_rmse"] == 500.8
33+
)
3234

3335
# Find differences between the calculator tasks and results
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calculator_task_differences = (

tests/metrics/test_visualization.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -15,7 +15,9 @@ def test_aggregate_ood_results_for_one_model(
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aggregator = ResultsFetcher()
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result = aggregator.aggregate_ood_results_for_one_model(model=model)
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np.testing.assert_almost_equal(result["Molecules"], desired=0.28470115, decimal=5)
18-
np.testing.assert_almost_equal(result["Inorganic Materials"],desired=0.24101483, decimal=5)
18+
np.testing.assert_almost_equal(
19+
result["Inorganic Materials"], desired=0.24101483, decimal=5
20+
)
1921
assert result["Catalysis"] is None
2022
with caplog.at_level(logging.WARNING):
2123
assert (

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