def test_ILL_reduced(self):
ill_red_ws = Load('ILL/IN16B/091515_red.nxs')
ill_red_ws = ConvertUnits(
ill_red_ws,
Target='Wavelength',
EMode='Indirect',
EFixed=1.845)
kwargs = self._arguments
corrected = SimpleShapeMonteCarloAbsorption(InputWorkspace=ill_red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
**kwargs)
x_unit = corrected.getAxis(0).getUnit().unitID()
self.assertEquals(x_unit, 'Wavelength')
y_unit = corrected.YUnitLabel()
self.assertEquals(y_unit, 'Attenuation factor')
num_hists = corrected.getNumberHistograms()
self.assertEquals(num_hists, 18)
blocksize = corrected.blocksize()
self.assertEquals(blocksize, 1024)
DeleteWorkspace(ill_red_ws)
def setUp(self):
red_ws = Load('irs26176_graphite002_red.nxs')
red_ws = ConvertUnits(InputWorkspace=red_ws,
Target='Wavelength',
EMode='Indirect',
EFixed=1.845)
self._arguments = {
'ChemicalFormula': 'H2-O',
'DensityType': 'Mass Density',
'Density': 1.0,
'EventsPerPoint': 200,
'BeamHeight': 3.5,
'BeamWidth': 4.0,
'Height': 2.0
}
self._red_ws = red_ws
corrected = SimpleShapeMonteCarloAbsorption(
InputWorkspace=self._red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
**self._arguments)
# store the basic flat plate workspace so it can be compared with others
self._corrected_flat_plate = corrected
def test_annulus(self):
# Test annulus shape
kwargs = self._annulus_arguments
corrected = SimpleShapeMonteCarloAbsorption(InnerRadius=1.0, **kwargs)
self._test_corrections_workspace(corrected)
def test_that_the_output_workspace_is_valid_when_using_cross_sections_for_sample(
self):
"""
Test simple run with sample workspace using cross sections.
"""
output_workspace = SimpleShapeMonteCarloAbsorption(
InputWorkspace=self._red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
MaxScatterPtAttempts=3000,
DensityType='Number Density',
Density=0.1,
EventsPerPoint=50,
BeamHeight=3.5,
BeamWidth=4.0,
Height=2.0,
CoherentXSection=0.039,
IncoherentXSection=56.052,
AttenuationXSection=0.222)
self.assertTrue(
CompareWorkspaces(self._corrected_flat_plate,
output_workspace,
Tolerance=1e-2)[0])
def test_cylinder(self):
# Test cylinder shape
kwargs = self._arguments
corrected = SimpleShapeMonteCarloAbsorption(InputWorkspace=self._red_ws,
Shape='Cylinder',
Radius=2.0,
**kwargs)
self._test_corrections_workspace(corrected)
def test_flat_plate(self):
# Test flat plate shape
kwargs = self._arguments
corrected = SimpleShapeMonteCarloAbsorption(InputWorkspace=self._red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
**kwargs)
self._test_corrections_workspace(corrected)
def test_annulus(self):
# Test annulus shape
kwargs = self._arguments
corrected = SimpleShapeMonteCarloAbsorption(
InputWorkspace=self._red_ws,
Shape='Annulus',
InnerRadius=1.0,
OuterRadius=2.0,
**kwargs)
self._test_corrections_workspace(corrected)
def test_small_max_scatter_point_attempts(self):
"""
Tests that an error is thrown for a small MaxScatterPtAttempts if the selected shape is a thin annulus.
:raise RuntimeError: if a scatter point is not generated within the shape
"""
kwargs = self._annulus_arguments
kwargs['InnerRadius'] = 1.99999
kwargs['MaxScatterPtAttempts'] = 1
with self.assertRaises(RuntimeError):
SimpleShapeMonteCarloAbsorption(**kwargs)
def test_no_max_scatter_point_attempts(self):
"""
Tests that an error is thrown for zero MaxScatterPtAttempts entered.
:raise RuntimeError: if MaxScatterPtAttempts is zero
"""
kwargs = self._annulus_arguments
kwargs['InnerRadius'] = 1.0
kwargs['MaxScatterPtAttempts'] = 0
with self.assertRaises(RuntimeError):
SimpleShapeMonteCarloAbsorption(**kwargs)
def test_ILL_reduced(self):
ill_red_ws = Load('ILL/IN16B/091515_red.nxs')
ill_red_ws = ConvertUnits(ill_red_ws,
Target='Wavelength',
EMode='Indirect',
EFixed=1.845)
kwargs = self._arguments
corrected = SimpleShapeMonteCarloAbsorption(InputWorkspace=ill_red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
**kwargs)
x_unit = corrected.getAxis(0).getUnit().unitID()
self.assertEquals(x_unit, 'Wavelength')
y_unit = corrected.YUnitLabel()
self.assertEquals(y_unit, 'Attenuation factor')
num_hists = corrected.getNumberHistograms()
self.assertEquals(num_hists, 18)
blocksize = corrected.blocksize()
self.assertEquals(blocksize, 1024)
DeleteWorkspace(ill_red_ws)
def test_flat_plate_no_params(self):
# If the shape is flat plate but the relevant parameters haven't been entered this should throw
# relevant params are Height, Width, Thickness
kwargs = {'InputWorkspace': self._red_ws,
'ChemicalFormula': 'H2-O',
'DensityType': 'Mass Density',
'Density': 1.0,
'EventsPerPoint': 200,
'BeamHeight': 3.5,
'BeamWidth': 4.0,
'Shape': 'FlatPlate'}
with self.assertRaises(RuntimeError):
SimpleShapeMonteCarloAbsorption(**kwargs)
def test_no_chemical_formula_or_cross_sections_causes_an_error(self):
kwargs = {'InputWorkspace': self._red_ws,
'MaterialAlreadyDefined': False,
'DensityType': 'Mass Density',
'Density': 1.0,
'EventsPerPoint': 200,
'BeamHeight': 3.5,
'BeamWidth': 4.0,
'Height': 2.0,
'Shape': 'FlatPlate',
'Width': 1.4,
'Thickness': 2.1}
with self.assertRaises(RuntimeError):
SimpleShapeMonteCarloAbsorption(**kwargs)
def test_max_scatter_point_attempts_similar(self):
"""
Tests that an almost identical workspace is yielded when MaxScatterPtAttempts is non-default and not too small.
"""
kwargs = self._arguments
output_workspace = SimpleShapeMonteCarloAbsorption(InputWorkspace=self._red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
MaxScatterPtAttempts=3000,
**kwargs)
matching, _ = CompareWorkspaces(
self._corrected_flat_plate, output_workspace, Tolerance=1e-6)
self.assertEquals(matching, True)
def test_not_in_wavelength(self):
red_ws_not_wavelength = Load('irs26176_graphite002_red.nxs')
kwargs = {'InputWorkspace': red_ws_not_wavelength,
'ChemicalFormula': 'H2-O',
'DensityType': 'Mass Density',
'Density': 1.0,
'EventsPerPoint': 200,
'BeamHeight': 3.5,
'BeamWidth': 4.0,
'Height': 2.0,
'Shape': 'FlatPlate',
'Width': 1.4,
'Thickness': 2.1}
with self.assertRaises(RuntimeError):
SimpleShapeMonteCarloAbsorption(**kwargs)
DeleteWorkspace(red_ws_not_wavelength)
def test_material_already_defined(self):
SetSampleMaterial(InputWorkspace=self._red_ws,
ChemicalFormula='H2-O',
SampleMassDensity=1.0)
corrected = SimpleShapeMonteCarloAbsorption(
InputWorkspace=self._red_ws,
MaterialAlreadyDefined=True,
EventsPerPoint=200,
BeamHeight=3.5,
BeamWidth=4.0,
Height=2.0,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0)
self._test_corrections_workspace(corrected)
CompareWorkspaces(self._corrected_flat_plate,
corrected,
Tolerance=1e-6)
def test_number_density(self):
# Mass Density for water is 1.0
# Number Density for water is 0.033428
# These should give similar results
kwargs = self._arguments
kwargs['DensityType'] = 'Number Density'
kwargs['Density'] = 0.033428
corrected_num = SimpleShapeMonteCarloAbsorption(
InputWorkspace=self._red_ws,
Shape='FlatPlate',
Width=2.0,
Thickness=2.0,
**kwargs)
# _corrected_flat_plate is with mass density 1.0
CompareWorkspaces(self._corrected_flat_plate,
corrected_num,
Tolerance=1e-6)
DeleteWorkspace(corrected_num)
