forked from enviPath/enviPy
jebus
762a6b7baf
Fixes #90 Fixes #91 Fixes #115 Fixes #104 Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#116
12 lines
328 B
Python
12 lines
328 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)
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self.assertEqual(standardized_smiles, 'CN=C1C=CC=CN1C')
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