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c-w-feldmann committed Feb 12, 2025
1 parent 864bee8 commit 2cb5a56
Showing 1 changed file with 0 additions and 4 deletions.
4 changes: 0 additions & 4 deletions tests/test_pipeline.py
Original file line number Diff line number Diff line change
Expand Up @@ -224,7 +224,6 @@ def test_fit_transform_record_remove_nones(self) -> None:
# Compare with expected output (Which is the same as the output without the faulty smiles)
self.assertTrue(are_equal(EXPECTED_OUTPUT, matrix))


def test_caching(self) -> None:
"""Test if the caching gives the same results and is faster on the second run."""

Expand Down Expand Up @@ -281,7 +280,6 @@ def test_caching(self) -> None:
class PipelineCompatibilityTest(unittest.TestCase):
"""Test if the pipeline is compatible with other sklearn functionalities."""


def test_gridsearchcv(self) -> None:
"""Test if the MolPipeline can be used in sklearn's GridSearchCV."""

Expand Down Expand Up @@ -342,7 +340,6 @@ def test_gridsearchcv(self) -> None:
for k, value in param_grid.items():
self.assertIn(grid_search_cv.best_params_[k], value)


def test_gridsearch_cache(self) -> None:
"""Run a short GridSearchCV and check if the caching and not caching gives the same results."""
h_params = {
Expand Down Expand Up @@ -382,7 +379,6 @@ def test_gridsearch_cache(self) -> None:
self.assertEqual(best_param_dict[True], best_param_dict[False])
self.assertTrue(np.allclose(prediction_dict[True], prediction_dict[False]))


def test_calibrated_classifier(self) -> None:
"""Test if the pipeline can be used with a CalibratedClassifierCV."""
smi2mol = SmilesToMol()
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