1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
|
#
# Copyright (C) 2017 greg Landrum
#
# @@ All Rights Reserved @@
#
import unittest, subprocess, os
from rdkit import RDConfig
class TestCase(unittest.TestCase):
def test1Github1406(self):
with open('data/simple.smi') as inf:
p = subprocess.run(('python', 'rfrag.py'),stdin=inf,stdout=subprocess.PIPE)
self.assertFalse(p.returncode)
self.assertEqual(p.stdout,b'''c1ccccc1,benzene,,
Cc1ccccc1,toluene,,C[*:1].c1ccc(cc1)[*:1]
''')
if __name__ == '__main__':
import sys
if sys.hexversion >= 0x3050000:
unittest.main()
else:
print('Python >=3.5 required to run tests')
|