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testing CI
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Tom authored and Tom committed Aug 9, 2024
1 parent 4ad46ba commit 98d4932
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Showing 3 changed files with 2 additions and 2 deletions.
Binary file modified tests/example_vector_table_original_chemical_ids_as_index.pkl
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4 changes: 2 additions & 2 deletions tests/test_chemical_featurizer.py
Original file line number Diff line number Diff line change
Expand Up @@ -147,7 +147,7 @@ def test_create_vector_table_original_chemical_ids_as_index(self):
)
expected_output_df_original_chemical_ids_as_index = pd.read_pickle(df_file_path)
assert create_vector_table(
["Hydroxychloroquine", "Warfarin"], molfeat_descriptors=['maccs', "usr", "Roberta-Zinc480M-102M", "gin_supervised_masking"]
["Hydroxychloroquine", "Warfarin"], molfeat_descriptors=['maccs', "usr"]
).equals(expected_output_df_original_chemical_ids_as_index)

def test_create_vector_table_smiles_as_index(self):
Expand All @@ -159,6 +159,6 @@ def test_create_vector_table_smiles_as_index(self):
expected_output_df_smiles_as_index = pd.read_pickle(df_file_path)
assert create_vector_table(
["Hydroxychloroquine", "Warfarin"],
molfeat_descriptors=['maccs', "usr", "Roberta-Zinc480M-102M", "gin_supervised_masking"],
molfeat_descriptors=['maccs', "usr"],
use_original_chemical_ids_for_df_index=False,
).equals(expected_output_df_smiles_as_index)

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