def test_bin_ranges_are_correct(self):
"""
Test that the bin ranges are correct when draw peak function is called
"""
bin_width = 3
wks_grp = SimulatedDensityOfStates(PHONONFile=self._phonon_file,
SpectrumType='DOS',
BinWidth=bin_width,
Ions='H,C,O')
expected_x_min = -0.051481
for idx in range(wks_grp.getNumberOfEntries()):
ws = wks_grp.getItem(idx)
self.assertAlmostEqual(expected_x_min,ws.readX(0)[0])
self.assertAlmostEqual(bin_width,(ws.readX(0)[1] - ws.readX(0)[0]))
def test_bin_ranges_are_correct(self):
"""
Test that the bin ranges are correct when draw peak function is called
"""
bin_width = 3
wks_grp = SimulatedDensityOfStates(PHONONFile=self._phonon_file,
SpectrumType='DOS',
BinWidth=bin_width,
Ions='H,C,O')
expected_x_min = -0.051481
for idx in range(wks_grp.getNumberOfEntries()):
ws = wks_grp.getItem(idx)
self.assertAlmostEqual(expected_x_min,ws.readX(0)[0])
self.assertAlmostEqual(bin_width,(ws.readX(0)[1] - ws.readX(0)[0]))
