forked from enviPath/enviPy
11 lines
347 B
Python
11 lines
347 B
Python
from django.test import TestCase
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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, remove_stereo=True)
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self.assertEqual(standardized_smiles, "CN=C1C=CC=CN1C")
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