def test_bond_table(self):
wks = SimulatedDensityOfStates(CASTEPFile=self._castep_file,
SpectrumType='BondTable')
self.assertTrue(isinstance(wks, ITableWorkspace))
self.assertEqual(wks.columnCount(), 6)
self.assertEqual(wks.rowCount(), 74)
def test_bond_table(self):
wks = SimulatedDensityOfStates(CASTEPFile=self._castep_file,
SpectrumType='BondTable')
self.assertTrue(isinstance(wks, ITableWorkspace))
self.assertEqual(wks.columnCount(), 6)
self.assertEqual(wks.rowCount(), 74)
def test_ion_table(self):
wks = SimulatedDensityOfStates(PHONONFile=self._phonon_file,
SpectrumType='IonTable')
self.assertTrue(isinstance(wks, ITableWorkspace))
self.assertEqual(wks.columnCount(), 10)
self.assertEqual(wks.rowCount(), 20)
all_species = wks.column('Species')
self.assertEqual(all_species.count('H'), 4)
self.assertEqual(all_species.count('C'), 8)
self.assertEqual(all_species.count('O'), 8)
def test_ion_table(self):
wks = SimulatedDensityOfStates(PHONONFile=self._phonon_file,
SpectrumType='IonTable')
self.assertTrue(isinstance(wks, ITableWorkspace))
self.assertEqual(wks.columnCount(), 10)
self.assertEqual(wks.rowCount(), 20)
all_species = wks.column('Species')
self.assertEqual(all_species.count('H'), 4)
self.assertEqual(all_species.count('C'), 8)
self.assertEqual(all_species.count('O'), 8)