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import unittest
from rdkit import Chem
from rdkit.Chem import rdMolInterchange
from rdkit import RDConfig
class TestCase(unittest.TestCase):
def setUp(self):
pass
def test1(self):
smis = ('c1ccccc1','C[C@H](F)Cl')
for smi in smis:
m = Chem.MolFromSmiles(smi)
csmi = Chem.MolToSmiles(m)
json = rdMolInterchange.MolToJSON(m)
nms = rdMolInterchange.JSONToMols(json)
self.assertEqual(len(nms),1)
smi2 = Chem.MolToSmiles(nms[0])
self.assertEqual(csmi,smi2)
ms = [Chem.MolFromSmiles(smi) for smi in smis]
json = rdMolInterchange.MolsToJSON(ms)
nms = rdMolInterchange.JSONToMols(json)
self.assertEqual(len(ms),len(nms))
self.assertEqual([Chem.MolToSmiles(x) for x in ms],[Chem.MolToSmiles(x) for x in nms])
if __name__ == '__main__':
unittest.main()
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