text: """
  Created on May 18, 2012
  
  @author: nmvdewie
  """
  import unittest
  import os
  import rmgpy.molecule as mol
  import rmgpy.qm.calculator as calc
  from rmgpy.thermo import ThermoData
  import re
  import rmgpy.qm.qmtp as qm
  import rmgpy.qm.parsers as pars
  import rmgpy.qm.symmetry as symm
  class Test(unittest.TestCase):
  
      def testPGDictionary(self):
          """
          Check the dictionary class that collects information on symmetry groups, and their
          chirality flags
          """
          pgd = symm.PointGroupDictionary()
          
          self.assertFalse(len(pgd.library.keys()) == 0)
  
      def testPointGroupCalculator(self):
          """
          Tests PointGroupCalculator
          """
          name = 'AAAOFKFEDKWQNN-UHFFFAOYAY'
          InChIaug = 'InChI=1/C9H14O2/c1-6(2)9-5-8(11-10)4-7(9)3/h4-6,8,10H,1-3H3'
          molecule = mol.Molecule().fromInChI(InChIaug)
          inputFileExtension = '.log'
          directory = os.path.join(os.path.dirname(__file__),'data/QMfiles/G03')
          driver = qm.QMTP('gaussian03', 'pm3')
          parsingTool = pars.CCLibParser(os.path.join(directory, name+inputFileExtension), driver)
          
          data = parsingTool.parse(molecule)
          mf = qm.molFile(molecule, name, directory)
          pgc = symm.PointGroupCalculator(mf, data)
          pg = pgc.calculate()
          
          self.assertTrue(isinstance(pg, symm.PointGroup))
          self.assertFalse(pg.linear)
          self.assertTrue(pg.chiral)#the chiral flag is set to True for C1 symmetry groups!
          self.assertEqual(pg.symmetryNumber, 1)
          
  if __name__ == "__main__":
      unittest.main( testRunner = unittest.TextTestRunner(verbosity=2) )