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fix test
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naik-aakash committed Oct 30, 2024
1 parent 2149508 commit aac8567
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions tests/featurize/test_core.py
Original file line number Diff line number Diff line change
Expand Up @@ -875,9 +875,9 @@ def test_featurize_nacl_icoxxlist(self):
assert isinstance(df, pd.DataFrame)
assert len(df.columns) == 299
assert np.sum(df.loc["NaCl"].to_numpy() * featurize_nacl_icoxxlist.bin_width) != 1
assert df.loc["NaCl", "bwdf_2.83-2.85"] == pytest.approx(-3.39234, abs=1e-05)
assert df.loc["NaCl", "bwdf_2.83-2.85"] == pytest.approx(-6.78468, abs=1e-05)
assert df.loc["NaCl", "bwdf_4.01-4.03"] == pytest.approx(-0.68946, abs=1e-05)
assert df.loc["NaCl", "bwdf_4.92-4.94"] == pytest.approx(-0.02825, abs=1e-05)
assert df.loc["NaCl", "bwdf_4.92-4.94"] == pytest.approx(-0.056499, abs=1e-05)
assert df.loc["NaCl", "bwdf_5.68-5.7"] == pytest.approx(-0.08202, abs=1e-05)

# Todo: Assert the values in the dataframe
Expand All @@ -898,7 +898,7 @@ def test_featurize_k3sb_icoxxlist(self):
# Test that the function returns a pandas DataFrame
assert isinstance(df, pd.DataFrame)
assert len(df.columns) == 599
assert np.sum(df.loc["K3Sb"].to_numpy() * featurize_k3sb_icoxxlist.bin_width) == 1
assert np.sum(df.loc["K3Sb"].to_numpy() * featurize_k3sb_icoxxlist.bin_width) == pytest.approx(1, abs=1e-05)
assert df.loc["K3Sb", "bwdf_3.71-3.72"] == pytest.approx(73.959533, abs=1e-05)
assert df.loc["K3Sb", "bwdf_4.28-4.29"] == pytest.approx(26.040467, abs=1e-05)

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