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1 parent 7731fd3 commit a16fa32Copy full SHA for a16fa32
tests/test_conformers.py
@@ -326,6 +326,7 @@ def test_conformer_energy():
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assert np.isclose(e3["rdkit_MMFF94s_noEstat_energy"], 38.217380, atol=1)
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assert np.isclose(e3["rdkit_MMFF94s_noEstat_delta_energy"], 0.0, atol=0.1)
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+
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def test_conformer_no_rotatable_bonds():
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mol = dm.to_mol("c1ccccc1")
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