new_contents: import os
  from unittest import TestCase
  from pymatgen import Molecule
  from pymatgen.io.qchemio import QcInput
  
  __author__ = 'xiaohuiqu'
  
  
  test_dir = os.path.join(os.path.dirname(__file__), "..", "..", "..",
                          'test_files', "molecules")
  
  
  coords = [[0.000000, 0.000000, 0.000000],
            [0.000000, 0.000000, 1.089000],
            [1.026719, 0.000000, -0.363000],
            [-0.513360, -0.889165, -0.363000],
            [-0.513360, 0.889165, -0.363000]]
  mol = Molecule(["C", "H", "H", "H", "H"], coords)
  
  
  class TestQcInput(TestCase):
      def test_str(self):
          qcinp = QcInput(mol, title="Test Methane", exchange="XYGJOS")
          print qcinp
subject: add test class for QcInput