def test_vanadium_annulus(self):
PolDiffILLReduction(Run='396917',
ProcessAs='Empty',
OutputWorkspace='container_ws')
sampleProperties = {
'SampleChemicalFormula': 'V',
'SampleMass': 8.54,
'FormulaUnitMass': 50.94,
'SampleInnerRadius': 2,
'SampleOuterRadius': 2.5,
'Height': 2,
'BeamWidth': 2.6,
'BeamHeight': 2.6,
'SampleDensity': 1,
'ContainerChemicalFormula': 'Al',
'ContainerDensity': 2.7,
'ContainerInnerRadius': 0.1,
'ContainerOuterRadius': 2.51,
'EventsPerPoint': 1000
}
PolDiffILLReduction(Run='396993',
ProcessAs='Vanadium',
OutputWorkspace='vanadium_annulus',
EmptyContainerWorkspace='container_ws',
SampleAndEnvironmentProperties=sampleProperties,
SelfAttenuationMethod='MonteCarlo',
SampleGeometry='Annulus',
OutputTreatment='Individual')
self._check_output(mtd['vanadium_annulus'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_annulus'], 'Vanadium')
def test_transmission(self):
PolDiffILLReduction(Run='396983', ProcessAs='EmptyBeam', OutputWorkspace='beam_ws')
PolDiffILLReduction(Run='396991', ProcessAs='BeamWithCadmium', OutputWorkspace='cadmium_ws')
PolDiffILLReduction(Run='396985', ProcessAs='Transmission', OutputWorkspace='quartz_transmission',
CadmiumTransmissionInputWorkspace='cadmium_ws_1', BeamInputWorkspace='beam_ws_1',)
self._check_output(mtd['quartz_transmission'], 1, 1, 1, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self.assertAlmostEqual(mtd['quartz_transmission_1'].readY(0)[0], 0.692, delta=1e-3)
self._check_process_flag(mtd['quartz_transmission'], 'Transmission')
def test_quartz(self):
PolDiffILLReduction(Run='396983', ProcessAs='EmptyBeam', OutputWorkspace='beam_ws')
PolDiffILLReduction(Run='396985', ProcessAs='Transmission', OutputWorkspace='quartz_transmission',
BeamInputWorkspace='beam_ws_1')
PolDiffILLReduction(Run='396939', ProcessAs='Quartz', TransmissionInputWorkspace='quartz_transmission_1',
OutputTreatment='Average', OutputWorkspace='quartz')
self._check_output(mtd['quartz'], 1, 132, 6, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['quartz'], 'Quartz')
def test_quartz_transmission_as_value(self):
PolDiffILLReduction(Run='396917', ProcessAs='Empty', OutputWorkspace='container_ws')
quartz_transmission = '0.95124'
PolDiffILLReduction(Run='396939', ProcessAs='Quartz', OutputWorkspace='quartz',
Transmission=quartz_transmission, OutputTreatment='AveragePol',
EmptyContainerWorkspace='container_ws')
self.assertTrue('quartz_transmission' in mtd)
self.assertTrue(mtd['quartz_transmission'].readY(0)[0] == float(quartz_transmission))
self._check_output(mtd['quartz'], 1, 132, 3, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['quartz'], 'Quartz')
def d7_reduction_test_sample_sum(self):
PolDiffILLReduction(Run='397004,397005', ProcessAs='Sample', OutputWorkspace='sample_sum',
SampleAndEnvironmentProperties=self._sampleProperties,
ScatteringAngleBinSize=1.0,
OutputTreatment='Sum')
self._check_output(mtd['sample_sum'], 132, 1, 1, 'Scattering Angle', 'Label', 'Height', 'Label')
self._check_process_flag(mtd['sample_sum'], 'Sample')
def d7_reduction_test_vanadium_sum_flat_plate(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_sum_num_flat_plate',
SelfAttenuationMethod='Numerical', SampleGeometry="FlatPlate",
SampleAndEnvironmentProperties=self._sampleProperties, OutputTreatment='Sum')
self._check_output(mtd['vanadium_sum_num_flat_plate'], 1, 132, 1, 'Wavelength', 'Wavelength', 'Spectrum',
'Label')
self._check_process_flag(mtd['vanadium_sum_num_flat_plate'], 'Vanadium')
def d7_reduction_test_vanadium_individual_annulus_monte_carlo(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_ind_mc_annulus',
SelfAttenuationMethod='MonteCarlo', SampleGeometry="Annulus",
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['vanadium_ind_mc_annulus'], 1, 132, 12, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_ind_mc_annulus'], 'Vanadium')
def d7_reduction_test_vanadium_individual_transmission_attenuation(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_ind_transmission_att',
SelfAttenuationMethod='Transmission', SampleGeometry="None", Transmission='0.95',
SampleAndEnvironmentProperties=self._sampleProperties, OutputTreatment='Individual')
self._check_output(mtd['vanadium_ind_transmission_att'], 1, 132, 12, 'Wavelength', 'Wavelength', 'Spectrum',
'Label')
self._check_process_flag(mtd['vanadium_ind_transmission_att'], 'Vanadium')
def test_sample(self):
sampleProperties = {'FormulaUnits': 1, 'SampleMass': 2.93, 'FormulaUnitMass': 182.56}
PolDiffILLReduction(Run='397004', ProcessAs='Sample', OutputWorkspace='sample',
SampleAndEnvironmentProperties=sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['sample'], 1, 132, 6, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample'], 'Sample')
def d7_reduction_test_sample_individual_incoherent(self):
PolDiffILLReduction(
Run='397004,397005',
ProcessAs='Sample',
OutputWorkspace='sample_individual',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['sample_individual'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_individual'], 'Sample')
D7AbsoluteCrossSections(
InputWorkspace='sample_individual',
OutputWorkspace='sample_individual_incoherent',
CrossSectionSeparationMethod='XYZ',
NormalisationMethod='Incoherent',
OutputTreatment='Merge',
OutputUnits='TwoTheta',
SampleAndEnvironmentProperties=self._sampleProperties)
self._check_output(mtd['sample_individual_incoherent'],
263,
1,
6,
'Scattering Angle',
'Label',
'Height',
'Label',
post_processed=True)
def test_container(self):
PolDiffILLReduction(Run='396917',
ProcessAs='Empty',
OutputWorkspace='container_ws')
self._check_output(mtd['container_ws'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['container_ws'], 'Empty')
def d7_reduction_test_vanadium_individual_cylinder_numerical(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_ind_num_cylinder',
SelfAttenuationMethod='Numerical', SampleGeometry="Cylinder",
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['vanadium_ind_num_cylinder'], 1, 132, 12, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_ind_num_cylinder'], 'Vanadium')
def test_sample_tof(self):
# creates table workspace with mock elastic peak positions and widths:
table_ws = CreateEmptyTableWorkspace()
table_ws.addColumn("float", "PeakCentre")
table_ws.addColumn("float", "Sigma")
for row in range(132):
table_ws.addRow([1645.2, 15.0])
sampleProperties = {
'SampleMass': 2.93,
'FormulaUnitMass': 50.94,
'EPWidth': 15
}
yig_calibration_file = "D7_YIG_calibration_TOF.xml"
PolDiffILLReduction(Run='395639',
ProcessAs='Sample',
OutputWorkspace='sample_tof',
SampleAndEnvironmentProperties=sampleProperties,
SampleGeometry='None',
OutputTreatment='Individual',
InstrumentCalibration=yig_calibration_file,
ElasticChannelsWorkspace='table_ws',
MeasurementTechnique='TOF')
self._check_output(mtd['sample_tof'], 339, 132, 2, 'Energy transfer',
'DeltaE', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_tof'], 'Sample')
def d7_reduction_test_sample_individual_paramagnetic(self):
PolDiffILLReduction(
Run='397004,397005',
ProcessAs='Sample',
OutputWorkspace='sample_individual',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['sample_individual'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_individual'], 'Sample')
D7AbsoluteCrossSections(
InputWorkspace='sample_individual',
OutputWorkspace='sample_individual_paramagnetic',
CrossSectionSeparationMethod='XYZ',
NormalisationMethod='Paramagnetic',
OutputTreatment='Individual',
OutputUnits='Q',
SampleAndEnvironmentProperties=self._sampleProperties)
self._check_output(mtd['sample_individual_paramagnetic'],
132,
1,
6,
'q',
'MomentumTransfer',
'Wavelength',
'Wavelength',
post_processed=True,
normalised_individually=True)
def d7_reduction_test_vanadium_scatter(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_scatter',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='IndividualXY')
self._check_output(mtd['vanadium_full'], 264, 1, 1, 'Momentum transfer', 'Momentum transfer', 'Spectrum',
'Label')
self._check_process_flag(mtd['vanadium_scatter'], 'Vanadium')
def test_vanadium(self):
sampleProperties = {'FormulaUnits': 1, 'SampleMass': 8.54, 'FormulaUnitMass': 50.94}
PolDiffILLReduction(Run='396993', ProcessAs='Vanadium', OutputWorkspace='vanadium',
SampleAndEnvironmentProperties=sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['vanadium'], 1, 132, 6, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium'], 'Vanadium')
def test_absorber(self):
PolDiffILLReduction(Run='396928',
ProcessAs='Cadmium',
OutputWorkspace='absorber_ws')
self._check_output(mtd['absorber_ws'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['absorber_ws'], 'Cadmium')
def d7_reduction_test_vanadium_sum_user(self):
CloneWorkspace(InputWorkspace='numerical_attenuation_ws', OutputWorkspace='numerical_attenuation_ws_clone')
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_sum_user',
SelfAttenuationMethod='User', SampleGeometry="Custom",
SampleSelfAttenuationFactors='numerical_attenuation_ws_clone',
SampleAndEnvironmentProperties=self._sampleProperties, OutputTreatment='Sum')
self._check_output(mtd['vanadium_sum_user'], 1, 132, 1, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_sum_user'], 'Vanadium')
def test_beam(self):
PolDiffILLReduction(Run='396983',
ProcessAs='EmptyBeam',
OutputWorkspace='beam_ws')
self._check_output(mtd['beam_ws'], 1, 1, 1, 'Wavelength', 'Wavelength',
'Spectrum', 'Label')
self._check_process_flag(mtd['beam_ws'], 'EmptyBeam')
self.assertAlmostEqual(mtd['beam_ws_1'].readY(0)[0], 5.566, delta=1e-3)
def d7_reduction_test_sample_tof_gauss_bckg_subtraction(self):
yig_calibration_file = "D7_YIG_calibration_TOF.xml"
# uses TOF vanadium sample as the source of background
PolDiffILLReduction(Run='396016', ProcessAs='Empty', OutputWorkspace='container_ws')
PolDiffILLReduction(Run='395639', ProcessAs='Sample', OutputWorkspace='sample_tof_data_bckg',
SampleAndEnvironmentProperties=self._sampleProperties,
SampleGeometry='None',
OutputTreatment='Individual',
Transmission='0.95',
EmptyContainerWorkspace='container_ws',
InstrumentCalibration=yig_calibration_file,
MeasurementTechnique='TOF',
ConvertToEnergy=False,
SubtractTOFBackgroundMethod='Gaussian'
)
self._check_output(mtd['sample_tof_data_bckg'], 512, 132, 2, 'Time-of-flight', 'TOF', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_tof_data_bckg'], 'Sample')
def test_absorber_transmission(self):
PolDiffILLReduction(Run='396991',
ProcessAs='BeamWithCadmium',
OutputWorkspace='cadmium_ws')
self._check_output(mtd['cadmium_ws'], 1, 1, 1, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['cadmium_ws'], 'BeamWithCadmium')
self.assertAlmostEqual(mtd['cadmium_ws_1'].readY(0)[0],
0.06,
delta=1e-3)
def d7_reduction_test_vanadium_average_2theta(self):
PolDiffILLReduction(
Run='396993,396994',
ProcessAs='Vanadium',
OutputWorkspace='vanadium_average',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='AverageTwoTheta')
self._check_output(mtd['vanadium_average'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_average'], 'Vanadium')
def d7_reduction_test_sample_full_reduction(self):
PolDiffILLReduction(Run='396983', ProcessAs='EmptyBeam', OutputWorkspace='beam_ws')
PolDiffILLReduction(Run='396985', ProcessAs='Transmission', OutputWorkspace='quartz_transmission',
EmptyBeamWorkspace='beam_ws')
PolDiffILLReduction(Run='396917,396918', ProcessAs='Empty', OutputWorkspace='container_ws')
PolDiffILLReduction(Run='396928,396929', ProcessAs='Cadmium', OutputWorkspace='absorber_ws')
PolDiffILLReduction(Run='396991', ProcessAs='BeamWithCadmium', OutputWorkspace='cadmium_ws')
PolDiffILLReduction(Run='396939,397000', ProcessAs='Quartz', OutputWorkspace='pol_corrections',
Transmission='quartz_transmission',
CadmiumTransmissionWorkspace='cadmium_ws', OutputTreatment='AveragePol')
PolDiffILLReduction(Run='396990', ProcessAs='Transmission', OutputWorkspace='vanadium_transmission',
CadmiumTransmissionWorkspace='cadmium_ws',
EmptyBeamWorkspace='beam_ws')
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_full',
CadmiumWorkspace='absorber_ws',
EmptyContainerWorkspace='container_ws',
Transmission='vanadium_transmission',
QuartzWorkspace='pol_corrections',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Sum')
PolDiffILLReduction(Run='396986,396987', ProcessAs='Transmission', OutputWorkspace='sample_transmission',
CadmiumTransmissionWorkspace='cadmium_ws',
EmptyBeamWorkspace='beam_ws')
PolDiffILLReduction(Run='397004,397005', ProcessAs='Sample', OutputWorkspace='sample_full',
CadmiumWorkspace='absorber_ws',
EmptyContainerWorkspace='container_ws',
Transmission='vanadium_transmission',
QuartzWorkspace='pol_corrections',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['sample_full'], 1, 132, 12, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_full'], 'Sample')
D7AbsoluteCrossSections(InputWorkspace='sample_full', OutputWorkspace='sample_full_normalised',
CrossSectionSeparationMethod='XYZ',
VanadiumInputWorkspace='vanadium_full',
NormalisationMethod='Vanadium',
OutputTreatment='Merge',
OutputUnits='Q',
SampleAndEnvironmentProperties=self._sampleProperties,
AbsoluteUnitsNormalisation=True)
self._check_output(mtd['sample_full_normalised'], 263, 1, 6, 'q', 'MomentumTransfer', 'Height', 'Label')
def test_vanadium_tof(self):
sampleProperties = {'SampleMass': 8.54, 'FormulaUnitMass': 50.94, 'EPWidth': 15}
yig_calibration_file = "D7_YIG_calibration_TOF.xml"
PolDiffILLReduction(Run='396016', ProcessAs='Vanadium', OutputWorkspace='vanadium_tof',
SampleAndEnvironmentProperties=sampleProperties,
SampleGeometry='None',
OutputTreatment='Sum',
InstrumentCalibration=yig_calibration_file,
MeasurementTechnique='TOF')
self.assertTrue('vanadium_tof' in mtd)
self.assertTrue('vanadium_tof_elastic' in mtd)
self._check_output(mtd['vanadium_tof'], 1, 132, 1, 'Energy transfer', 'DeltaE', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_tof'], 'Vanadium')
def d7_reduction_test_vanadium_full_reduction(self):
PolDiffILLReduction(Run='396983',
ProcessAs='EmptyBeam',
OutputWorkspace='beam_ws')
PolDiffILLReduction(Run='396985',
ProcessAs='Transmission',
OutputWorkspace='quartz_transmission',
EmptyBeamWorkspace='beam_ws')
PolDiffILLReduction(Run='396917,396918',
ProcessAs='Empty',
OutputWorkspace='container_ws')
PolDiffILLReduction(Run='396928,396929',
ProcessAs='Cadmium',
OutputWorkspace='absorber_ws')
PolDiffILLReduction(Run='396991',
ProcessAs='BeamWithCadmium',
OutputWorkspace='cadmium_ws')
PolDiffILLReduction(Run='396939,397000',
ProcessAs='Quartz',
OutputWorkspace='pol_corrections',
Transmission='quartz_transmission',
CadmiumTransmissionWorkspace='cadmium_ws',
OutputTreatment='AveragePol')
PolDiffILLReduction(Run='396990',
ProcessAs='Transmission',
OutputWorkspace='vanadium_transmission',
CadmiumTransmissionWorkspace='cadmium_ws',
EmptyBeamWorkspace='beam_ws')
PolDiffILLReduction(
Run='396993,396994',
ProcessAs='Vanadium',
OutputWorkspace='vanadium_full',
CadmiumWorkspace='absorber_ws',
EmptyContainerWorkspace='container_ws',
Transmission='vanadium_transmission',
QuartzWorkspace='pol_corrections',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Sum')
self._check_output(mtd['vanadium_full'], 1, 132, 6, 'Wavelength',
'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_full'], 'Vanadium')
def d7_reduction_test_sample_crop_tof_axis(self):
# creates table workspace with mock elastic peak positions and widths:
table_ws = CreateEmptyTableWorkspace()
table_ws.addColumn("float", "PeakCentre")
table_ws.addColumn("float", "Sigma")
for row in range(132):
table_ws.addRow([1645.2, 15.0])
sampleProperties = {'SampleMass': 2.93, 'FormulaUnitMass': 50.94}
yig_calibration_file = "D7_YIG_calibration_TOF.xml"
PolDiffILLReduction(Run='395639', ProcessAs='Sample', OutputWorkspace='sample_tof',
SampleAndEnvironmentProperties=sampleProperties,
SampleGeometry='None',
OutputTreatment='Individual',
InstrumentCalibration=yig_calibration_file,
ElasticChannelsWorkspace=table_ws,
MeasurementTechnique='TOF',
ConvertToEnergy=False,
MaxTOFChannel=500
)
self._check_output(mtd['sample_tof'], 500, 132, 2, 'Time-of-flight', 'TOF', 'Spectrum', 'Label')
self._check_process_flag(mtd['sample_tof'], 'Sample')
def d7_reduction_test_vanadium_individual(self):
PolDiffILLReduction(Run='396993,396994', ProcessAs='Vanadium', OutputWorkspace='vanadium_individual',
SampleAndEnvironmentProperties=self._sampleProperties,
OutputTreatment='Individual')
self._check_output(mtd['vanadium_individual'], 1, 132, 12, 'Wavelength', 'Wavelength', 'Spectrum', 'Label')
self._check_process_flag(mtd['vanadium_individual'], 'Vanadium')
