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import openbabel
mol = openbabel.OBMol()
print 'Should print 0 (atoms)'
print mol.NumAtoms()
a = mol.NewAtom()
b = mol.NewAtom()
mol.AddBond(1, 2, 1)
print 'Should print 2 (atoms)'
print mol.NumAtoms()
print 'Should print 1 (bond)'
print mol.NumBonds()
obConversion = openbabel.OBConversion()
obConversion.SetInAndOutFormats("smi", "mdl")
mol.Clear()
obConversion.ReadString(mol, "C1=CC=CS1")
print 'Should print 5 (atoms)'
print mol.NumAtoms()
mol.AddHydrogens()
print 'Should print 9 (atoms) after adding hydrogens'
print mol.NumAtoms()
outMDL = obConversion.WriteString(mol)
obConversion.WriteFile(mol, 'temp.mdl')
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