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Updates the test for dockstring (#204)
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src/poli/tests/docs_examples/test_objective_functions.py

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@@ -142,7 +142,13 @@ def test_dockstring_example():
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# Querying:
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y = f(x)
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print(y) # Should be 11.9
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assert np.isclose(y, 11.9).all()
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# As of 25/06/2024, the value changed from 11.9 to 11.8.
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# Several potential culprits here: RDKit being modified
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# to accomodate for numpy 2.0, or maybe OpenBabel...
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# An issue will be raised on DockString's repository.
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assert np.isclose(y, 11.9, atol=1e-1).all()
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def test_drd3_docking_example():

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