old_contents: # This file is part of cclib (http://cclib.sf.net), a library for parsing
  # and interpreting the results of computational chemistry packages.
  #
  # Copyright (C) 2006-2014, the cclib development team
  #
  # The library is free software, distributed under the terms of
  # the GNU Lesser General Public version 2.1 or later. You should have
  # received a copy of the license along with cclib. You can also access
  # the full license online at http://www.gnu.org/copyleft/lgpl.html.
  
  import math
  
  import numpy
  
  import bettertest
  import testSP
  
  
  class GenericScanTest(bettertest.TestCase):
      """Generic relaxed potential energy surfance scan unittest"""
  
      # extra indices
      extra = 0
  
      def testnumindices(self):
          """Do the number of indices match number of scan points."""
  
          if self.data._attrtypes["optdone"] is bool:
              self.skipTest("optdone is bool in this version")
  
          self.assertEquals(len(self.data.optdone), 12 + self.extra)
  
      def testindices(self):
          """Do the indices match the results from geovalues."""
  
          if self.data._attrtypes["optdone"] is bool:
              self.skipTest("optdone is bool in this version")
  
          indexes = self.data.optdone
          geovalues_from_index = self.data.geovalues[indexes]
          temp = numpy.all(self.data.geovalues <= self.data.geotargets, axis=1)
          geovalues = self.data.geovalues[temp]
  
          self.assertArrayEquals(geovalues, geovalues_from_index)
  
  
  class GaussianScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
      extra = 1
  
  
  class JaguarScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
      extra = 1
  
  class OrcaScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
  
      def testindices(self):
          """Do the indices match the results from geovalues. PASS"""
          self.assertEquals(1, 1)
  
  
  if __name__=="__main__":
  
      from testall import testall
      testall(modules=["Scan"])
  
new_contents: # This file is part of cclib (http://cclib.sf.net), a library for parsing
  # and interpreting the results of computational chemistry packages.
  #
  # Copyright (C) 2006-2014, the cclib development team
  #
  # The library is free software, distributed under the terms of
  # the GNU Lesser General Public version 2.1 or later. You should have
  # received a copy of the license along with cclib. You can also access
  # the full license online at http://www.gnu.org/copyleft/lgpl.html.
  
  import math
  
  import numpy
  
  import bettertest
  import testSP
  
  
  class GenericScanTest(bettertest.TestCase):
      """Generic relaxed potential energy surfance scan unittest"""
  
      # extra indices
      extra = 0
  
      def testnumindices(self):
          """Do the number of indices match number of scan points."""
  
          if self.data._attrtypes["optdone"] is bool:
              self.assertEquals(self.data.optdone, True)
          else:
              self.assertEquals(len(self.data.optdone), 12 + self.extra)
  
      def testindices(self):
          """Do the indices match the results from geovalues."""
  
          if self.data._attrtypes["optdone"] is bool:
              assert self.data.optdone and numpy.all(self.data.geovalues[-1] <= self.data.geotargets)
          else:
              indexes = self.data.optdone
              geovalues_from_index = self.data.geovalues[indexes]
              temp = numpy.all(self.data.geovalues <= self.data.geotargets, axis=1)
              geovalues = self.data.geovalues[temp]
              self.assertArrayEquals(geovalues, geovalues_from_index)
  
  
  class GaussianScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
      extra = 1
  
  
  class JaguarScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
      extra = 1
  
  class OrcaScanTest(GenericScanTest):
      """Customized relaxed potential energy surface scan unittest"""
  
      def testindices(self):
          """Do the indices match the results from geovalues. PASS"""
          self.assertEquals(1, 1)
  
  
  if __name__=="__main__":
  
      from testall import testall
      testall(modules=["Scan"])
  
subject: check something instead of passing tests when optdone is a Bool