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This commit is contained in:
Tim Lorsbach
2025-06-23 20:13:54 +02:00
parent b4f9bb277d
commit ded50edaa2
22617 changed files with 4345095 additions and 174 deletions
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tests/test_formatconverter.py Normal file
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from django.test import TestCase
from utilities.chem import FormatConverter
class FormatConverterTestCase(TestCase):
def setUp(self):
pass
def test_standardization(self):
smiles = 'C[n+]1c([N-](C))cccc1'
standardized_smiles = FormatConverter.standardize(smiles)
self.assertEqual(standardized_smiles, 'CN=C1C=CC=CN1C')