forked from enviPath/enviPy
[Fix] Compound Grouping, Identity prediction of enviFormer, Setting params (#337)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#337
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@ -6,5 +6,5 @@ from utilities.chem import FormatConverter
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class FormatConverterTestCase(TestCase):
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def test_standardization(self):
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smiles = "C[n+]1c([N-](C))cccc1"
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standardized_smiles = FormatConverter.standardize(smiles)
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standardized_smiles = FormatConverter.standardize(smiles, remove_stereo=True)
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self.assertEqual(standardized_smiles, "CN=C1C=CC=CN1C")
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