Exemple #1
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 def testWriteString(self):
     sh = SH()
     data = Data(molecule=PYQ)
     sh.write(data, format="cml")
Exemple #2
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 def testReadString(self):
     sh = SH()
     data = sh.read(PYQ_STR, format="xyz")
     self.assertEqual(len(data.molecule.atoms), 2)
Exemple #3
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 def testReadString(self):
     sh = SH()
     data = sh.read(PYQ_STR, format="xyz")
     self.assertEqual(len(data.molecule.atoms), 2)
Exemple #4
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 def testWriteString(self):
     sh = SH()
     data = Data(molecule=PYQ)
     sh.write(data, format="cml")