def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
mandatoryInputWorkspaces = CompositeValidator()
mandatoryInputWorkspaces.add(StringArrayMandatoryValidator())
mandatoryInputWorkspaces.add(StringArrayLengthValidator(1, 4))
self.declareProperty(StringArrayProperty(Prop.INPUT_WS,
values=[],
validator=mandatoryInputWorkspaces),
doc='A set of polarized workspaces, in wavelength.')
self.declareProperty(WorkspaceGroupProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A group of polarization efficiency corrected workspaces.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(Prop.CLEANUP,
defaultValue=common.WSCleanup.ON,
validator=StringListValidator([common.WSCleanup.ON, common.WSCleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(FileProperty(Prop.EFFICIENCY_FILE,
defaultValue='',
action=FileAction.Load),
doc='A file containing the polarization efficiency factors.')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
lenValidator = StringArrayLengthValidator()
lenValidator.setLengthMin(1)
mandatoryInputRuns.add(lenValidator)
self.declareProperty(StringArrayProperty(Prop.RUNS,
values=[],
validator=mandatoryInputRuns),
doc='A list of run numbers or workspace names for the input runs. '
'Multiple runs will be summed before reduction.')
self.declareProperty(StringArrayProperty(Prop.FIRST_TRANS_RUNS,
values=[]),
doc='A list of run numbers or workspace names for the first transmission run. '
'Multiple runs will be summed before reduction.')
self.declareProperty(StringArrayProperty(Prop.SECOND_TRANS_RUNS,
values=[]),
doc='A list of run numbers or workspace names for the second transmission run. '
'Multiple runs will be summed before reduction.')
self._declareSliceAlgorithmProperties()
self._declareReductionAlgorithmProperties()
self.declareProperty(WorkspaceProperty(Prop.OUTPUT_WS, '',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The output workspace, or workspace group if sliced.')
self.declareProperty(WorkspaceProperty(Prop.OUTPUT_WS_BINNED, '',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The binned output workspace, or workspace group if sliced.')
self.declareProperty(WorkspaceProperty(Prop.OUTPUT_WS_LAM, '',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The output workspace in wavelength, or workspace group if sliced.')
def _declareRunProperties(self):
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
lenValidator = StringArrayLengthValidator()
lenValidator.setLengthMin(1)
mandatoryInputRuns.add(lenValidator)
# Add property for the input runs
self.declareProperty(
StringArrayProperty(Prop.RUNS,
values=[],
validator=mandatoryInputRuns),
doc='A list of run numbers or workspace names for the input runs. '
'Multiple runs will be summed before reduction.')
# Add properties from child algorithm
properties = [
'ThetaIn',
'ThetaLogName',
]
self.copyProperties('ReflectometryReductionOneAuto', properties)
self._reduction_properties += properties
# Add properties for settings to apply to input runs
self.declareProperty(
Prop.RELOAD,
True,
doc=
'If true, reload input workspaces if they are of the incorrect type'
)
self.declareProperty(Prop.GROUP_TOF,
True,
doc='If true, group the TOF workspaces')
def _get_input_runs_validator():
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
lenValidator = StringArrayLengthValidator()
lenValidator.setLengthMin(1)
mandatoryInputRuns.add(lenValidator)
return mandatoryInputRuns
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
mandatoryInputWorkspaces = CompositeValidator()
mandatoryInputWorkspaces.add(StringArrayMandatoryValidator())
mandatoryInputWorkspaces.add(StringArrayLengthValidator(1, 4))
self.declareProperty(
StringArrayProperty(Prop.INPUT_WS,
values=[],
validator=mandatoryInputWorkspaces),
doc='A set of polarized workspaces, in wavelength.')
self.declareProperty(
WorkspaceGroupProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A group of polarization efficiency corrected workspaces.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator(
[SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator(
[utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(
FileProperty(Prop.EFFICIENCY_FILE,
defaultValue='',
action=FileAction.Load),
doc='A file containing the polarization efficiency factors.')
def PyInit(self):
# State
self.declareProperty(PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Input workspaces
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(MatrixWorkspaceProperty("TransmissionWorkspace", '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='The calculated transmission workspace in wavelength units.')
self.declareProperty(MatrixWorkspaceProperty("NormalizeToMonitorWorkspace", '',
optional=PropertyMode.Mandatory, direction=Direction.Input,
validator=workspace_validator),
doc='The monitor normalization workspace in wavelength units.')
allowed_detector_types = StringListValidator([DetectorType.to_string(DetectorType.HAB),
DetectorType.to_string(DetectorType.LAB)])
self.declareProperty("Component", DetectorType.to_string(DetectorType.LAB),
validator=allowed_detector_types, direction=Direction.Input,
doc="The component of the instrument which is currently being investigated.")
# Output workspace
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspaceWavelengthAdjustment", '',
direction=Direction.Output),
doc='A wavelength adjustment output workspace.')
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspacePixelAdjustment", '',
direction=Direction.Output),
doc='A pixel adjustment output workspace.')
def test_creation_with_add_succeeds_correctly_in_algorithm(self):
"""
Tests that a composite validator created with the add
method validates correctly
"""
validation = CompositeValidator()
validation.add(FloatBoundedValidator(lower=5))
validation.add(FloatBoundedValidator(upper=10))
self._do_validation_test(validation)
def test_creation_with_add_succeeds_correctly_in_algorithm(self):
"""
Tests that a composite validator created with the add
method validates correctly
"""
validation = CompositeValidator()
validation.add(FloatBoundedValidator(lower=5))
validation.add(FloatBoundedValidator(upper=10))
self._do_validation_test(validation)
def PyInit(self):
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(lower=0)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc='Input workspace.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The output of the algorithm.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(
ITableWorkspaceProperty(name=common.PROP_EPP_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Mandatory),
doc='Table workspace containing results from the FindEPP algorithm.'
)
self.declareProperty(
name=common.PROP_DWF_CORRECTION,
defaultValue=common.DWF_ON,
validator=StringListValidator([common.DWF_ON, common.DWF_OFF]),
direction=Direction.Input,
doc=
'Enable or disable the correction for the Debye-Waller factor for '
+ common.PROP_OUTPUT_WS + '.')
self.declareProperty(
name=common.PROP_TEMPERATURE,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Experimental temperature (Vanadium ' +
'reduction type only) for the Debye-Waller correction, in Kelvins.'
)
self.setPropertySettings(
common.PROP_TEMPERATURE,
EnabledWhenProperty(common.PROP_DWF_CORRECTION,
PropertyCriterion.IsDefault))
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
threeNonnegativeInts = CompositeValidator()
threeNonnegativeInts.add(IntArrayLengthValidator(3))
nonnegativeInts = IntArrayBoundedValidator()
nonnegativeInts.setLower(0)
threeNonnegativeInts.add(nonnegativeInts)
self.declareProperty(
MatrixWorkspaceProperty(
Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc='An input workspace (units wavelength) to be integrated.')
self.declareProperty(
MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The integrated foreground divided by the summed direct beam.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator(
[SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=common.WSCleanup.ON,
validator=StringListValidator(
[common.WSCleanup.ON, common.WSCleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(Prop.SUM_TYPE,
defaultValue=SumType.IN_LAMBDA,
validator=StringListValidator(
[SumType.IN_LAMBDA, SumType.IN_Q]),
doc='Type of summation to perform.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.DIRECT_FOREGROUND_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=WorkspaceUnitValidator('Wavelength')),
doc=
'Summed direct beam workspace if output in reflectivity is required.'
)
self.declareProperty(
IntArrayProperty(Prop.FOREGROUND_INDICES,
values=[
Property.EMPTY_INT, Property.EMPTY_INT,
Property.EMPTY_INT
],
validator=threeNonnegativeInts),
doc=
'A three element array of foreground start, centre and end workspace indices.'
)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
mustBePositive = FloatBoundedValidator(lower=0)
# Properties.
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to which to apply the corrections.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The corrected workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator(
[utils.Cleanup.ON, utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to print in the logs.')
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_EC_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc=
'An empty container workspace for subtraction from the input workspace.'
)
self.declareProperty(
name=common.PROP_EC_SCALING,
defaultValue=1.0,
validator=mustBePositive,
direction=Direction.Input,
doc=
'A multiplier (transmission, if no self shielding is applied) for the empty container.'
)
self.declareProperty(
MatrixWorkspaceProperty(
name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A workspace containing the self shielding correction factors.'
)
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
lenValidator = StringArrayLengthValidator()
lenValidator.setLengthMin(1)
mandatoryInputRuns.add(lenValidator)
self.declareProperty(
StringArrayProperty(Prop.RUNS,
values=[],
validator=mandatoryInputRuns),
doc='A list of run numbers or workspace names for the input runs. '
'Multiple runs will be summed before reduction.')
self.declareProperty(
StringArrayProperty(Prop.FIRST_TRANS_RUNS, values=[]),
doc=
'A list of run numbers or workspace names for the first transmission run. '
'Multiple runs will be summed before reduction.')
self.declareProperty(
StringArrayProperty(Prop.SECOND_TRANS_RUNS, values=[]),
doc=
'A list of run numbers or workspace names for the second transmission run. '
'Multiple runs will be summed before reduction.')
self._declareSliceAlgorithmProperties()
self._declareReductionAlgorithmProperties()
self.declareProperty(Prop.GROUP_TOF,
True,
doc='If true, group the input TOF workspace')
self.declareProperty(
Prop.RELOAD,
True,
doc=
'If true, reload input workspaces if they are of the incorrect type'
)
self.declareProperty(
WorkspaceProperty(Prop.OUTPUT_WS,
'',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The output workspace, or workspace group if sliced.')
self.declareProperty(
WorkspaceProperty(Prop.OUTPUT_WS_BINNED,
'',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The binned output workspace, or workspace group if sliced.')
self.declareProperty(
WorkspaceProperty(Prop.OUTPUT_WS_LAM,
'',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc=
'The output workspace in wavelength, or workspace group if sliced.'
)
def PyInit(self):
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(lower=0)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc='A workspace to be integrated.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The integrated workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(ITableWorkspaceProperty(
name=common.PROP_EPP_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Mandatory),
doc='Table workspace containing results from the FindEPP algorithm.')
self.declareProperty(name=common.PROP_DWF_CORRECTION,
defaultValue=common.DWF_ON,
validator=StringListValidator([
common.DWF_ON,
common.DWF_OFF]),
direction=Direction.Input,
doc='Enable or disable the correction for the Debye-Waller factor for ' + common.PROP_OUTPUT_WS + '.')
self.declareProperty(name=common.PROP_TEMPERATURE,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Vanadium temperature in Kelvin for Debye-Waller correction, ' +
'overrides the default value from the sample logs.')
self.setPropertySettings(common.PROP_TEMPERATURE, EnabledWhenProperty(common.PROP_DWF_CORRECTION,
PropertyCriterion.IsDefault))
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
scalingFactor = FloatBoundedValidator(lower=0, upper=1)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to which to apply the corrections.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The corrected workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_EC_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='An empty container workspace for subtraction from the input workspace.')
self.declareProperty(name=common.PROP_EC_SCALING,
defaultValue=1.0,
validator=scalingFactor,
direction=Direction.Input,
doc='A multiplier (transmission, if no self ' +
'shielding is applied) for the empty container.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A workspace containing the self shielding correction factors.')
def PyInit(self):
validators = CompositeValidator()
validators.add(HistogramValidator(True))
validators.add(CommonBinsValidator())
self.declareProperty(
MatrixWorkspaceProperty(name='InputWorkspace',
defaultValue='',
direction=Direction.Input,
validator=validators),
doc=
'Input MatrixWorkspace containing the reduced inelastic neutron spectrum in (Q,E) or (2theta,E) space.'
)
self.declareProperty(name='Temperature',
defaultValue=300.,
validator=FloatBoundedValidator(lower=0),
doc='Sample temperature in Kelvin.')
self.declareProperty(
name='MeanSquareDisplacement',
defaultValue=0.,
validator=FloatBoundedValidator(lower=0),
doc='Average mean square displacement in Angstrom^2.')
self.declareProperty(
name='QSumRange',
defaultValue='0,Qmax',
doc='Range in Q (in Angstroms^-1) to sum data over.')
self.declareProperty(
name='EnergyBinning',
defaultValue='0,Emax/50,Emax*0.9',
doc=
'Energy binning parameters [Emin, Emax] or [Emin, Estep, Emax] in meV.'
)
self.declareProperty(
name='Wavenumbers',
defaultValue=False,
doc='Should the output be in Wavenumbers (cm^-1)?')
self.declareProperty(
name='StatesPerEnergy',
defaultValue=False,
doc=
'Should the output be in states per unit energy rather than mb/sr/fu/energy?\n'
+
'(Only for pure elements, need to set the sample material information)'
)
self.declareProperty(MatrixWorkspaceProperty(
name='OutputWorkspace',
defaultValue='',
direction=Direction.Output),
doc='Output workspace name.')
self.declareProperty(
name='TwoThetaSumRange',
defaultValue='Twothetamin, Twothetamax',
doc='Range in 2theta (in degrees) to sum data over.')
def PyInit(self):
""" Declare properties
"""
validator = CompositeValidator()
validator.add(WorkspaceUnitValidator("TOF"))
validator.add(InstrumentValidator())
self.declareProperty(MatrixWorkspaceProperty("InputWorkspace", "", direction=Direction.Input, validator=validator),
doc="Input workspace.")
self.declareProperty(ITableWorkspaceProperty("EPPTable", "", direction=Direction.Input),
doc="Input EPP table. May be produced by FindEPP algorithm.")
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", "", direction=Direction.Output),
doc="Name of the workspace that will contain the results")
return
def PyInit(self):
"""Declare properties
"""
wsValidators = CompositeValidator()
# X axis must be a NumericAxis in energy transfer units.
wsValidators.add(WorkspaceUnitValidator("DeltaE"))
# Workspace must have an Instrument
wsValidators.add(InstrumentValidator())
self.declareProperty(MatrixWorkspaceProperty(name="InputWorkspace", defaultValue="", direction=Direction.Input,
validator=wsValidators), doc="Workspace name for input")
self.declareProperty(FileProperty(name="Filename", defaultValue="", action=FileAction.Save, extensions=""),
doc="The name to use when writing the file")
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
scalingFactor = FloatBoundedValidator(lower=0, upper=1)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='Input workspace.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The output of the algorithm.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_EC_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Reduced empty container workspace.')
self.declareProperty(name=common.PROP_EC_SCALING,
defaultValue=1.0,
validator=scalingFactor,
direction=Direction.Input,
doc='Scaling factor (transmission, if no self ' +
'shielding is applied) for empty container.')
self.declareProperty(
MatrixWorkspaceProperty(
name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A workspace containing self shielding correction factors.')
def PyInit(self):
# State
self.declareProperty(
PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Input workspaces
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(
MatrixWorkspaceProperty("TransmissionWorkspace",
'',
optional=PropertyMode.Optional,
direction=Direction.Input,
validator=workspace_validator),
doc='The calculated transmission workspace in wavelength units.')
self.declareProperty(
MatrixWorkspaceProperty("NormalizeToMonitorWorkspace",
'',
optional=PropertyMode.Mandatory,
direction=Direction.Input,
validator=workspace_validator),
doc='The monitor normalization workspace in wavelength units.')
allowed_detector_types = StringListValidator([
DetectorType.to_string(DetectorType.HAB),
DetectorType.to_string(DetectorType.LAB)
])
self.declareProperty(
"Component",
DetectorType.to_string(DetectorType.LAB),
validator=allowed_detector_types,
direction=Direction.Input,
doc=
"The component of the instrument which is currently being investigated."
)
# Output workspace
self.declareProperty(MatrixWorkspaceProperty(
"OutputWorkspaceWavelengthAdjustment",
'',
direction=Direction.Output),
doc='A wavelength adjustment output workspace.')
self.declareProperty(MatrixWorkspaceProperty(
"OutputWorkspacePixelAdjustment", '', direction=Direction.Output),
doc='A pixel adjustment output workspace.')
def PyInit(self):
# ----------
# INPUT
# ----------
# State
self.declareProperty(PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Main workspace
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(MatrixWorkspaceProperty("InputWorkspace", '',
optional=PropertyMode.Mandatory, direction=Direction.Input,
validator=workspace_validator),
doc='The main input workspace.')
# Adjustment workspaces
self.declareProperty(MatrixWorkspaceProperty("InputWorkspaceWavelengthAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='The workspace which contains only wavelength-specific adjustments, ie which affects '
'all spectra equally.')
self.declareProperty(MatrixWorkspaceProperty("InputWorkspacePixelAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The workspace which contains only pixel-specific adjustments, ie which affects '
'all bins within a spectrum equally.')
self.declareProperty(MatrixWorkspaceProperty("InputWorkspaceWavelengthAndPixelAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='The workspace which contains wavelength- and pixel-specific adjustments.')
self.declareProperty('OutputParts', defaultValue=False,
direction=Direction.Input,
doc='Set to true to output two additional workspaces which will have the names '
'OutputWorkspace_sumOfCounts OutputWorkspace_sumOfNormFactors. The division '
'of _sumOfCounts and _sumOfNormFactors equals the workspace returned by the '
'property OutputWorkspace (default is false).')
# ----------
# Output
# ----------
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", '',
optional=PropertyMode.Mandatory, direction=Direction.Output),
doc="The reduced workspace")
def PyInit(self):
# ----------
# INPUT
# ----------
# State
self.declareProperty(PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Main workspace
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(MatrixWorkspaceProperty("InputWorkspace", '',
optional=PropertyMode.Mandatory, direction=Direction.Input,
validator=workspace_validator),
doc='The main input workspace.')
# Adjustment workspaces
self.declareProperty(MatrixWorkspaceProperty("InputWorkspaceWavelengthAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='The workspace which contains only wavelength-specific adjustments, ie which affects '
'all spectra equally.')
self.declareProperty(MatrixWorkspaceProperty("InputWorkspacePixelAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The workspace which contains only pixel-specific adjustments, ie which affects '
'all bins within a spectrum equally.')
self.declareProperty(MatrixWorkspaceProperty("InputWorkspaceWavelengthAndPixelAdjustment", '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='The workspace which contains wavelength- and pixel-specific adjustments.')
self.declareProperty('OutputParts', defaultValue=False,
direction=Direction.Input,
doc='Set to true to output two additional workspaces which will have the names '
'OutputWorkspace_sumOfCounts OutputWorkspace_sumOfNormFactors. The division '
'of _sumOfCounts and _sumOfNormFactors equals the workspace returned by the '
'property OutputWorkspace (default is false).')
# ----------
# Output
# ----------
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", '',
optional=PropertyMode.Mandatory, direction=Direction.Output),
doc="The reduced workspace")
def PyInit(self):
""" Declare properties
"""
validator = CompositeValidator()
validator.add(WorkspaceUnitValidator("TOF"))
validator.add(InstrumentValidator())
self.declareProperty(MatrixWorkspaceProperty("InputWorkspace",
"",
direction=Direction.Input,
validator=validator),
doc="Input workspace.")
self.declareProperty(
ITableWorkspaceProperty("EPPTable", "", direction=Direction.Input),
doc="Input EPP table. May be produced by FindEPP algorithm.")
self.declareProperty(
MatrixWorkspaceProperty("OutputWorkspace",
"",
direction=Direction.Output),
doc="Name of the workspace that will contain the results")
return
def PyInit(self):
validators = CompositeValidator()
validators.add(HistogramValidator(True))
validators.add(CommonBinsValidator())
self.declareProperty(MatrixWorkspaceProperty(name='InputWorkspace', defaultValue='', direction=Direction.Input, validator=validators),
doc='Input MatrixWorkspace containing the reduced inelastic neutron spectrum in (Q,E) space.')
self.declareProperty(name='Temperature', defaultValue=300., validator=FloatBoundedValidator(lower=0),
doc='Sample temperature in Kelvin.')
self.declareProperty(name='MeanSquareDisplacement', defaultValue=0., validator=FloatBoundedValidator(lower=0),
doc='Average mean square displacement in Angstrom^2.')
self.declareProperty(name='QSumRange', defaultValue='0,Qmax',
doc='Range in Q (in Angstroms^-1) to sum data over.')
self.declareProperty(name='EnergyBinning', defaultValue='0,Emax/50,Emax*0.9',
doc='Energy binning parameters [Emin, Estep, Emax] in meV.')
self.declareProperty(name='Wavenumbers', defaultValue=False,
doc='Should the output be in Wavenumbers (cm^-1)?')
self.declareProperty(name='StatesPerEnergy', defaultValue=False,
doc='Should the output be in states per unit energy rather than mb/sr/fu/energy?\n'+
'(Only for pure elements, need to set the sample material information)')
self.declareProperty(MatrixWorkspaceProperty(name='OutputWorkspace', defaultValue='', direction=Direction.Output),
doc='Output workspace name.')
def PyInit(self):
""" Declare properties
"""
validator = CompositeValidator()
validator.add(WorkspaceUnitValidator("TOF"))
validator.add(InstrumentValidator())
self.declareProperty(
MatrixWorkspaceProperty("InputWorkspace", "", direction=Direction.Input, validator=validator),
doc="Input Sample workspace",
)
# Optional but required if tof_elastic must be taken from fitted Vanadium or sample data
self.declareProperty(
ITableWorkspaceProperty("EPPTable", "", direction=Direction.Input, optional=PropertyMode.Optional),
"Input EPP table (optional). May be produced by FindEPP algorithm.",
)
self.declareProperty(
WorkspaceProperty("OutputWorkspace", "", direction=Direction.Output),
"Name of the workspace that will contain the result",
)
return
def PyInit(self):
self.declareProperty(FileProperty('CalibrationRun', '', action=FileAction.Load, extensions=['nxs']),
doc='File path of calibration run. Must be a detector scan.')
self.declareProperty(FileProperty('CalibrationFile', '', action=FileAction.OptionalLoad, extensions=['nxs']),
doc='Optional file containing previous calibration constants.')
self.declareProperty(name='CalibrationMethod',
defaultValue='Median',
validator=StringListValidator(['Median', 'Mean', 'MostLikelyMean']),
doc='The method of how the calibration constant of a '
'pixel relative to the neighbouring one is derived.')
self.declareProperty(name='InterpolateOverlappingAngles', defaultValue=False,
doc='Wheter to interpolate 2theta values for overlapping regions between neighbouring cells.')
self.declareProperty(name='NormaliseTo',
defaultValue='None',
validator=StringListValidator(['None', 'Monitor', 'ROI']),
doc='Normalise to time, monitor or ROI counts before deriving the calibration.')
thetaRangeValidator = FloatArrayOrderedPairsValidator()
self.declareProperty(FloatArrayProperty(name='ROI', values=[0,100.], validator=thetaRangeValidator),
doc='Regions of interest for normalisation [in scattering angle in degrees].')
normaliseToROI = VisibleWhenProperty('NormaliseTo', PropertyCriterion.IsEqualTo, 'ROI')
self.setPropertySettings('ROI', normaliseToROI)
self.declareProperty(FloatArrayProperty(name='ExcludedRange', values=[], validator=thetaRangeValidator),
doc='2theta regions to exclude from the computation of relative calibration constants '
'[in scattering angle in degrees]. ')
pixelRangeValidator = CompositeValidator()
greaterThanOne = IntArrayBoundedValidator()
greaterThanOne.setLower(1)
lengthTwo = IntArrayLengthValidator()
lengthTwo.setLength(2)
orderedPairsValidator = IntArrayOrderedPairsValidator()
pixelRangeValidator.add(greaterThanOne)
pixelRangeValidator.add(lengthTwo)
pixelRangeValidator.add(orderedPairsValidator)
self.declareProperty(IntArrayProperty(name='PixelRange', values=[1,3072], validator=pixelRangeValidator),
doc='Range of the pixel numbers to compute the calibration factors for. '
'For the other pixels outside the range, the factor will be set to 1.')
self.declareProperty(MatrixWorkspaceProperty('OutputResponseWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Output),
doc='Output workspace containing the summed diffraction patterns of all the pixels.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Output workspace containing the detector efficiencies for each pixel.')
def PyInit(self):
validator = CompositeValidator()
validator.add(WorkspaceUnitValidator('Wavelength'))
validator.add(HistogramValidator())
validator.add(InstrumentValidator())
self.declareProperty(MatrixWorkspaceProperty('InputWorkspace', defaultValue='',
validator = validator,
direction = Direction.Input),
doc='The input workspace in wavelength')
self.declareProperty('BeamRadius', 0.1, FloatBoundedValidator(lower=0.), 'The radius of the beam [m]')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace',
defaultValue='',
direction = Direction.Output),
doc='The output workspace')
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_BEAM_STOP_DIAGNOSTICS = 'Beam Stop Diagnostics'
PROPGROUP_BKG_DIAGNOSTICS = 'Background Diagnostics'
PROPGROUP_PEAK_DIAGNOSTICS = 'Elastic Peak Diagnostics'
PROPGROUP_USER_MASK = 'Additional Masking'
greaterThanUnityFloat = FloatBoundedValidator(lower=1)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(lower=0)
positiveIntArray = IntArrayBoundedValidator()
positiveIntArray.setLower(0)
scalingFactor = FloatBoundedValidator(lower=0, upper=1)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc="A 'raw' workspace from DirectILLCollectData to calculate the diagnostics from.")
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A diagnostics mask workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(ITableWorkspaceProperty(
name=common.PROP_EPP_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Table workspace containing results from the FindEPP algorithm.')
self.declareProperty(name=common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
defaultValue=common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
common.ELASTIC_PEAK_DIAGNOSTICS_ON,
common.ELASTIC_PEAK_DIAGNOSTICS_OFF]),
direction=Direction.Input,
doc='Enable or disable elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
defaultValue=3.0,
validator=positiveFloat,
direction=Direction.Input,
doc="Integration width of the elastic peak in multiples " +
" of 'Sigma' in the EPP table.")
self.setPropertyGroup(common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
defaultValue=0.1,
validator=scalingFactor,
direction=Direction.Input,
doc='Multiplier for lower acceptance limit ' +
'used in elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
defaultValue=3.0,
validator=greaterThanUnityFloat,
direction=Direction.Input,
doc='Multiplier for higher acceptance limit ' +
'used in elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
defaultValue=3.3,
validator=positiveFloat,
direction=Direction.Input,
doc='To fail the elastic peak diagnostics, the intensity must also exceed ' +
'this number of error bars with respect to the median intensity.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS,
defaultValue=common.BKG_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.BKG_DIAGNOSTICS_AUTO,
common.BKG_DIAGNOSTICS_ON,
common.BKG_DIAGNOSTICS_OFF]),
direction=Direction.Input,
doc='Control the background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS, PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_SIGMA_MULTIPLIER,
defaultValue=10.0,
validator=positiveFloat,
direction=Direction.Input,
doc="Width of the range excluded from background integration around " +
"the elastic peaks in multiplies of 'Sigma' in the EPP table")
self.setPropertyGroup(common.PROP_BKG_SIGMA_MULTIPLIER,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
defaultValue=0.1,
validator=scalingFactor,
direction=Direction.Input,
doc='Multiplier for lower acceptance limit ' +
'used in noisy background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
defaultValue=3.3,
validator=greaterThanUnityFloat,
direction=Direction.Input,
doc='Multiplier for higher acceptance limit ' +
'used in noisy background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
defaultValue=3.3,
validator=positiveFloat,
direction=Direction.Input,
doc='To fail the background diagnostics, the background level must also exceed ' +
'this number of error bars with respect to the median level.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BEAM_STOP_DIAGNOSTICS,
defaultValue=common.BEAM_STOP_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.BEAM_STOP_DIAGNOSTICS_AUTO,
common.BEAM_STOP_DIAGNOSTICS_ON,
common.BEAM_STOP_DIAGNOSTICS_OFF]),
direction=Direction.Input,
doc='Control the beam stop diagnostics.')
self.setPropertyGroup(common.PROP_BEAM_STOP_DIAGNOSTICS, PROPGROUP_BEAM_STOP_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BEAM_STOP_THRESHOLD,
defaultValue=0.67,
validator=scalingFactor,
direction=Direction.Input,
doc='Multiplier for the lower acceptance limit for beam stop diagnostics.')
self.setPropertyGroup(common.PROP_BEAM_STOP_THRESHOLD, PROPGROUP_BEAM_STOP_DIAGNOSTICS)
self.declareProperty(name=common.PROP_DEFAULT_MASK,
defaultValue=common.DEFAULT_MASK_ON,
validator=StringListValidator([
common.DEFAULT_MASK_ON,
common.DEFAULT_MASK_OFF]),
direction=Direction.Input,
doc='Enable or disable instrument specific default mask.')
self.declareProperty(IntArrayProperty(name=common.PROP_USER_MASK,
values='',
validator=positiveIntArray,
direction=Direction.Input),
doc='List of spectra to mask.')
self.setPropertyGroup(common.PROP_USER_MASK, PROPGROUP_USER_MASK)
self.declareProperty(
StringArrayProperty(name=common.PROP_USER_MASK_COMPONENTS,
values='',
direction=Direction.Input),
doc='List of instrument components to mask.')
self.setPropertyGroup(common.PROP_USER_MASK_COMPONENTS, PROPGROUP_USER_MASK)
# Rest of the output properties
self.declareProperty(ITableWorkspaceProperty(
name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output table workspace for detector diagnostics reporting.')
self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
defaultValue='',
direction=Direction.Output,
doc='Diagnostics report as a string.')
self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_REBINNING = 'Rebinning for SofQW'
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to reduce.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The reduced S(Q, DeltaE) workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_VANA_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='An integrated vanadium workspace.')
self.declareProperty(name=common.PROP_ABSOLUTE_UNITS,
defaultValue=common.ABSOLUTE_UNITS_OFF,
validator=StringListValidator([
common.ABSOLUTE_UNITS_OFF,
common.ABSOLUTE_UNITS_ON]),
direction=Direction.Input,
doc='Enable or disable normalisation to absolute units.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_DIAGNOSTICS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Detector diagnostics workspace for masking.')
self.declareProperty(FloatArrayProperty(name=common.PROP_REBINNING_PARAMS_W),
doc='Manual energy rebinning parameters.')
self.setPropertyGroup(common.PROP_REBINNING_PARAMS_W, PROPGROUP_REBINNING)
self.declareProperty(FloatArrayProperty(name=common.PROP_BINNING_PARAMS_Q),
doc='Manual q rebinning parameters.')
self.setPropertyGroup(common.PROP_BINNING_PARAMS_Q, PROPGROUP_REBINNING)
self.declareProperty(name=common.PROP_TRANSPOSE_SAMPLE_OUTPUT,
defaultValue=common.TRANSPOSING_ON,
validator=StringListValidator([
common.TRANSPOSING_ON,
common.TRANSPOSING_OFF]),
direction=Direction.Input,
doc='Enable or disable ' + common.PROP_OUTPUT_WS + ' transposing.')
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_THETA_W_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for reduced S(theta, DeltaE).')
self.setPropertyGroup(common.PROP_OUTPUT_THETA_W_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_SIMULATION_INSTRUMENT = 'Simulation Instrument Settings'
greaterThanOneInt = IntBoundedValidator(lower=2)
greaterThanTwoInt = IntBoundedValidator(lower=3)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='A workspace for which to simulate the self shielding.')
self.declareProperty(MatrixWorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A workspace containing the self shielding correction factors.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(name=common.PROP_SIMULATION_INSTRUMENT,
defaultValue=common.SIMULATION_INSTRUMEN_SPARSE,
validator=StringListValidator([
common.SIMULATION_INSTRUMEN_SPARSE,
common.SIMULATION_INSTRUMENT_FULL]),
direction=Direction.Input,
doc='Select if the simulation should be performed on full or approximated instrument.')
self.setPropertyGroup(common.PROP_SIMULATION_INSTRUMENT, PROPGROUP_SIMULATION_INSTRUMENT)
self.declareProperty(name=common.PROP_SPARSE_INSTRUMENT_ROWS,
defaultValue=5,
validator=greaterThanTwoInt,
direction=Direction.Input,
doc='Number of detector rows in sparse simulation instrument.')
self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_ROWS, PROPGROUP_SIMULATION_INSTRUMENT)
self.setPropertySettings(common.PROP_SPARSE_INSTRUMENT_ROWS, EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
PropertyCriterion.IsEqualTo, common.SIMULATION_INSTRUMEN_SPARSE))
self.declareProperty(name=common.PROP_SPARSE_INSTRUMENT_COLUMNS,
defaultValue=20,
validator=greaterThanOneInt,
direction=Direction.Input,
doc='Number of detector columns in sparse simulation instrument.')
self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_COLUMNS, PROPGROUP_SIMULATION_INSTRUMENT)
self.setPropertySettings(common.PROP_SPARSE_INSTRUMENT_COLUMNS, EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
PropertyCriterion.IsEqualTo, common.SIMULATION_INSTRUMEN_SPARSE))
self.declareProperty(name=common.PROP_NUMBER_OF_SIMULATION_WAVELENGTHS,
defaultValue=Property.EMPTY_INT,
validator=greaterThanTwoInt,
direction=Direction.Input,
doc='Number of wavelength points where the simulation is performed (default: all).')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInt = IntBoundedValidator(lower=0)
wsIndexRange = IntBoundedValidator(lower=0, upper=255)
nonnegativeIntArray = IntArrayBoundedValidator(lower=0)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeIntArray)
self.declareProperty(MultipleFileProperty(
Prop.RUN, action=FileAction.OptionalLoad, extensions=['nxs']),
doc='A list of input run numbers/files.')
self.declareProperty(
MatrixWorkspaceProperty(Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('TOF'),
optional=PropertyMode.Optional),
doc='An input workspace (units TOF) if no Run is specified.')
self.declareProperty(
MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc=
'The preprocessed output workspace (unit wavelength), single histogram.'
)
self.declareProperty(
Prop.TWO_THETA,
defaultValue=Property.EMPTY_DBL,
doc='A user-defined scattering angle 2 theta (unit degrees).')
self.declareProperty(
name=Prop.LINE_POSITION,
defaultValue=Property.EMPTY_DBL,
doc=
'A workspace index corresponding to the beam centre between 0.0 and 255.0.'
)
self.declareProperty(MatrixWorkspaceProperty(
Prop.DIRECT_LINE_WORKSPACE,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A pre-processed direct beam workspace.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator(
[SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator(
[utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(MatrixWorkspaceProperty(
Prop.WATER_REFERENCE,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator("TOF"),
optional=PropertyMode.Optional),
doc='A (water) calibration workspace (unit TOF).')
self.declareProperty(Prop.SLIT_NORM,
defaultValue=SlitNorm.OFF,
validator=StringListValidator(
[SlitNorm.OFF, SlitNorm.ON]),
doc='Enable or disable slit normalisation.')
self.declareProperty(Prop.FLUX_NORM_METHOD,
defaultValue=FluxNormMethod.TIME,
validator=StringListValidator([
FluxNormMethod.TIME, FluxNormMethod.MONITOR,
FluxNormMethod.OFF
]),
doc='Neutron flux normalisation method.')
self.declareProperty(
IntArrayProperty(Prop.FOREGROUND_HALF_WIDTH,
validator=maxTwoNonnegativeInts),
doc=
'Number of foreground pixels at lower and higher angles from the centre pixel.'
)
self.declareProperty(
Prop.BKG_METHOD,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator(
[BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.'
)
self.declareProperty(
Prop.LOW_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc=
'Distance of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(
Prop.LOW_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc=
'Width of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(
Prop.HIGH_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc=
'Distance of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(
Prop.HIGH_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc=
'Width of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(
Prop.START_WS_INDEX,
validator=wsIndexRange,
defaultValue=0,
doc='Start workspace index used for peak fitting.')
self.declareProperty(Prop.END_WS_INDEX,
validator=wsIndexRange,
defaultValue=255,
doc='Last workspace index used for peak fitting.')
self.declareProperty(
Prop.XMIN,
defaultValue=Property.EMPTY_DBL,
doc='Minimum x value (unit Angstrom) used for peak fitting.')
self.declareProperty(
Prop.XMAX,
defaultValue=Property.EMPTY_DBL,
doc='Maximum x value (unit Angstrom) used for peak fitting.')
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_BEAM_STOP_DIAGNOSTICS = 'Beam Stop Diagnostics'
PROPGROUP_BKG_DIAGNOSTICS = 'Background Diagnostics'
PROPGROUP_PEAK_DIAGNOSTICS = 'Elastic Peak Diagnostics'
PROPGROUP_USER_MASK = 'Additional Masking'
greaterThanUnityFloat = FloatBoundedValidator(lower=1)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(lower=0)
positiveIntArray = IntArrayBoundedValidator()
positiveIntArray.setLower(0)
scalingFactor = FloatBoundedValidator(lower=0, upper=1)
# Properties.
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc=
"A 'raw' workspace from DirectILLCollectData to calculate the diagnostics from."
)
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A diagnostics mask workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(
ITableWorkspaceProperty(name=common.PROP_EPP_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Table workspace containing results from the FindEPP algorithm.'
)
self.declareProperty(name=common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
defaultValue=common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
common.ELASTIC_PEAK_DIAGNOSTICS_ON,
common.ELASTIC_PEAK_DIAGNOSTICS_OFF
]),
direction=Direction.Input,
doc='Enable or disable elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
defaultValue=3.0,
validator=positiveFloat,
direction=Direction.Input,
doc="Integration half width of the elastic peak in multiples " +
" of 'Sigma' in the EPP table.")
self.setPropertyGroup(common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Multiplier for lower acceptance limit ' +
'used in elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
defaultValue=Property.EMPTY_DBL,
validator=greaterThanUnityFloat,
direction=Direction.Input,
doc='Multiplier for higher acceptance limit ' +
'used in elastic peak diagnostics.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc=
'To fail the elastic peak diagnostics, the intensity must also exceed '
+
'this number of error bars with respect to the median intensity.')
self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
PROPGROUP_PEAK_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS,
defaultValue=common.BKG_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.BKG_DIAGNOSTICS_AUTO,
common.BKG_DIAGNOSTICS_ON,
common.BKG_DIAGNOSTICS_OFF
]),
direction=Direction.Input,
doc='Control the background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_BKG_SIGMA_MULTIPLIER,
defaultValue=10.0,
validator=positiveFloat,
direction=Direction.Input,
doc=
"Width of the range excluded from background integration around " +
"the elastic peaks in multiplies of 'Sigma' in the EPP table")
self.setPropertyGroup(common.PROP_BKG_SIGMA_MULTIPLIER,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Multiplier for lower acceptance limit ' +
'used in noisy background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
defaultValue=Property.EMPTY_DBL,
validator=greaterThanUnityFloat,
direction=Direction.Input,
doc='Multiplier for higher acceptance limit ' +
'used in noisy background diagnostics.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc=
'To fail the background diagnostics, the background level must also exceed '
+ 'this number of error bars with respect to the median level.')
self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
PROPGROUP_BKG_DIAGNOSTICS)
self.declareProperty(name=common.PROP_BEAM_STOP_DIAGNOSTICS,
defaultValue=common.BEAM_STOP_DIAGNOSTICS_AUTO,
validator=StringListValidator([
common.BEAM_STOP_DIAGNOSTICS_AUTO,
common.BEAM_STOP_DIAGNOSTICS_ON,
common.BEAM_STOP_DIAGNOSTICS_OFF
]),
direction=Direction.Input,
doc='Control the beam stop diagnostics.')
self.setPropertyGroup(common.PROP_BEAM_STOP_DIAGNOSTICS,
PROPGROUP_BEAM_STOP_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_BEAM_STOP_THRESHOLD,
defaultValue=0.67,
validator=scalingFactor,
direction=Direction.Input,
doc=
'Multiplier for the lower acceptance limit for beam stop diagnostics.'
)
self.setPropertyGroup(common.PROP_BEAM_STOP_THRESHOLD,
PROPGROUP_BEAM_STOP_DIAGNOSTICS)
self.declareProperty(
name=common.PROP_DEFAULT_MASK,
defaultValue=common.DEFAULT_MASK_ON,
validator=StringListValidator(
[common.DEFAULT_MASK_ON, common.DEFAULT_MASK_OFF]),
direction=Direction.Input,
doc='Enable or disable instrument specific default mask.')
self.declareProperty(IntArrayProperty(name=common.PROP_USER_MASK,
values='',
validator=positiveIntArray,
direction=Direction.Input),
doc='List of spectra to mask.')
self.setPropertyGroup(common.PROP_USER_MASK, PROPGROUP_USER_MASK)
self.declareProperty(StringArrayProperty(
name=common.PROP_USER_MASK_COMPONENTS,
values='',
direction=Direction.Input),
doc='List of instrument components to mask.')
self.setPropertyGroup(common.PROP_USER_MASK_COMPONENTS,
PROPGROUP_USER_MASK)
# Rest of the output properties
self.declareProperty(
ITableWorkspaceProperty(
name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output table workspace for detector diagnostics reporting.')
self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
defaultValue='',
direction=Direction.Output,
doc='Diagnostics report as a string.')
self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
self.declareProperty(StringArrayProperty('SampleRuns',
values=[],
validator=mandatoryInputRuns),
doc='Optional cycle number followed by comma separated range of\n'
'sample runs as [cycle::] n1,n2,..\n'
' eg 123::7333-7341,7345')
self.declareProperty(name='EmptyRuns',
defaultValue='',
doc='Optional cycle number followed by comma separated range of\n'
'runs as [cycle::] n1,n2,..\n'
' eg 123::6300-6308')
self.declareProperty(name='ScaleEmptyRuns',
defaultValue=1.0,
doc='Scale the empty runs prior to subtraction')
self.declareProperty(name='CalibrationRuns',
defaultValue='',
doc='Optional cycle number followed by comma separated range of\n'
'runs as [cycle::] n1,n2,..\n'
' eg 123::6350-6365')
self.declareProperty(name='EmptyCalibrationRuns',
defaultValue='',
doc='Optional cycle number followed by comma separated range of\n'
'runs as [cycle::] n1,n2,..\n'
' eg 123::6370-6375')
self.declareProperty(name='EnergyTransfer',
defaultValue='0.0, 0.02, 3.0',
doc='Energy transfer range in meV expressed as min, step, max')
self.declareProperty(name='MomentumTransfer',
defaultValue='0.0, 0.02, 2.6',
doc='Momentum transfer range in inverse Angstroms,\n'
' expressed as min, step, max')
self.declareProperty(name='Processing', defaultValue='SOFQW1-Centre',
validator=StringListValidator(
['SOFQW1-Centre', 'SOFQW3-NormalisedPolygon', 'NXSPE']),
doc='Convert to SOFQW or save file as NXSPE,\n'
'note SOFQW3 is more accurate but much slower than SOFQW1.')
self.declareProperty(name='LambdaOnTwoMode', defaultValue=False,
doc='Set if instrument running in lambda on two mode.')
self.declareProperty(WorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Name for the reduced workspace.')
self.declareProperty(FileProperty('ScratchFolder', '',
action=FileAction.OptionalDirectory,
direction=Direction.Input),
doc='Path to save and restore merged workspaces.')
self.declareProperty(name='KeepIntermediateWorkspaces', defaultValue=False,
doc='Whether to keep the intermediate sample and calibration\n'
'workspaces for diagnostic checks.')
self.declareProperty(FileProperty('ConfigurationFile', '',
action=FileAction.OptionalLoad,
extensions=['ini']),
doc='Optional: INI file to override default processing values.')
def PyInit(self):
# ---------------
# INPUT
# ---------------
# State
self.declareProperty(PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Input workspaces
self.declareProperty(MatrixWorkspaceProperty('TransmissionWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The transmission workspace.')
self.declareProperty(MatrixWorkspaceProperty('DirectWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The direct workspace.')
self.declareProperty(MatrixWorkspaceProperty('MonitorWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The scatter monitor workspace. This workspace only contains monitors.')
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(MatrixWorkspaceProperty('SampleData', '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='A workspace cropped to the detector to be reduced (the SAME as the input to Q1D). '
'This used to verify the solid angle. The workspace is not modified, just inspected.')
# The component
allowed_detector_types = StringListValidator([DetectorType.to_string(DetectorType.HAB),
DetectorType.to_string(DetectorType.LAB)])
self.declareProperty("Component", DetectorType.to_string(DetectorType.LAB),
validator=allowed_detector_types, direction=Direction.Input,
doc="The component of the instrument which is currently being investigated.")
# The data type
allowed_data = StringListValidator([DataType.to_string(DataType.Sample),
DataType.to_string(DataType.Can)])
self.declareProperty("DataType", DataType.to_string(DataType.Sample),
validator=allowed_data, direction=Direction.Input,
doc="The component of the instrument which is to be reduced.")
# Slice factor for monitor
self.declareProperty('SliceEventFactor', 1.0, direction=Direction.Input, doc='The slice factor for the monitor '
'normalization. This factor is the'
' one obtained from event '
'slicing.')
# ---------------
# Output
# ---------------
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceWavelengthAdjustment', '',
direction=Direction.Output),
doc='The workspace for wavelength-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspacePixelAdjustment', '',
direction=Direction.Output),
doc='The workspace for wavelength-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceWavelengthAndPixelAdjustment', '',
direction=Direction.Output),
doc='The workspace for, both, wavelength- and pixel-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('CalculatedTransmissionWorkspace', ''
,optional=PropertyMode.Optional, direction=Direction.Output),
doc='The calculated transmission workspace')
self.declareProperty(MatrixWorkspaceProperty('UnfittedTransmissionWorkspace', ''
,optional=PropertyMode.Optional, direction=Direction.Output),
doc='The unfitted transmission workspace')
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_FLAT_BKG = 'Flat Time-Independent Background'
PROPGROUP_INCIDENT_ENERGY_CALIBRATION = 'Indicent Energy Calibration'
PROPGROUP_MON_NORMALISATION = 'Neutron Flux Normalisation'
# Validators.
mandatoryPositiveInt = CompositeValidator()
mandatoryPositiveInt.add(IntMandatoryValidator())
mandatoryPositiveInt.add(IntBoundedValidator(lower=0))
positiveFloat = FloatBoundedValidator(lower=0)
positiveInt = IntBoundedValidator(lower=0)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(MultipleFileProperty(name=common.PROP_INPUT_FILE,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='An input run number (or a list thereof) or a filename.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='Input workspace if no run is given.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A flux normalized and background subtracted workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([
utils.Cleanup.ON,
utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(name=common.PROP_EPP_METHOD,
defaultValue=common.EPP_METHOD_AUTO,
validator=StringListValidator([
common.EPP_METHOD_AUTO,
common.EPP_METHOD_FIT,
common.EPP_METHOD_CALCULATE]),
direction=Direction.Input,
doc='Method to create the EPP table for detectors (monitor is awlays fitted).')
self.declareProperty(name=common.PROP_EPP_SIGMA,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Nominal sigma for the EPP table when ' + common.PROP_EPP_METHOD +
' is set to ' + common.EPP_METHOD_CALCULATE +
' (default: 10 times the first bin width).')
self.declareProperty(name=common.PROP_ELASTIC_CHANNEL_MODE,
defaultValue=common.ELASTIC_CHANNEL_AUTO,
validator=StringListValidator([
common.ELASTIC_CHANNEL_AUTO,
common.ELASTIC_CHANNEL_SAMPLE_LOG,
common.ELASTIC_CHANNEL_FIT]),
direction=Direction.Input,
doc='How to acquire the nominal elastic channel.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_ELASTIC_CHANNEL_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A single value workspace containing the nominal elastic channel index. Overrides '
+ common.PROP_ELASTIC_CHANNEL_MODE + '.')
self.declareProperty(name=common.PROP_MON_INDEX,
defaultValue=Property.EMPTY_INT,
validator=positiveInt,
direction=Direction.Input,
doc='Index of the incident monitor, if not specified in instrument parameters.')
self.declareProperty(name=common.PROP_INCIDENT_ENERGY_CALIBRATION,
defaultValue=common.INCIDENT_ENERGY_CALIBRATION_AUTO,
validator=StringListValidator([
common.INCIDENT_ENERGY_CALIBRATION_AUTO,
common.INCIDENT_ENERGY_CALIBRATION_ON,
common.INCIDENT_ENERGY_CALIBRATION_OFF]),
direction=Direction.Input,
doc='Control the incident energy calibration.')
self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_CALIBRATION, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INCIDENT_ENERGY_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A single-valued workspace holding a previously determined ' +
'incident energy.')
self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_WS, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
self.declareProperty(name=common.PROP_FLAT_BKG,
defaultValue=common.BKG_AUTO,
validator=StringListValidator([
common.BKG_AUTO,
common.BKG_ON,
common.BKG_OFF]),
direction=Direction.Input,
doc='Control flat background subtraction.')
self.setPropertyGroup(common.PROP_FLAT_BKG, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_FLAT_BKG_SCALING,
defaultValue=1.0,
validator=positiveFloat,
direction=Direction.Input,
doc='Flat background multiplication factor.')
self.setPropertyGroup(common.PROP_FLAT_BKG_SCALING, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_FLAT_BKG_WINDOW,
defaultValue=30,
validator=mandatoryPositiveInt,
direction=Direction.Input,
doc='Running average window width (in bins) for flat background.')
self.setPropertyGroup(common.PROP_FLAT_BKG_WINDOW, PROPGROUP_FLAT_BKG)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_FLAT_BKG_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Workspace with previously determined flat background data.')
self.setPropertyGroup(common.PROP_FLAT_BKG_WS, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_NORMALISATION,
defaultValue=common.NORM_METHOD_MON,
validator=StringListValidator([
common.NORM_METHOD_MON,
common.NORM_METHOD_TIME,
common.NORM_METHOD_OFF]),
direction=Direction.Input,
doc='Normalisation method.')
self.setPropertyGroup(common.PROP_NORMALISATION, PROPGROUP_MON_NORMALISATION)
self.declareProperty(name=common.PROP_MON_PEAK_SIGMA_MULTIPLIER,
defaultValue=3.0,
validator=positiveFloat,
direction=Direction.Input,
doc="Width of the monitor peak in multiples " +
" of 'Sigma' in monitor's EPP table.")
self.setPropertyGroup(common.PROP_MON_PEAK_SIGMA_MULTIPLIER, PROPGROUP_MON_NORMALISATION)
# Rest of the output properties.
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_RAW_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Non-normalized and non-background subtracted output workspace for DirectILLDiagnostics.')
self.setPropertyGroup(common.PROP_OUTPUT_RAW_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for elastic channel index.')
self.setPropertyGroup(common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(ITableWorkspaceProperty(
name=common.PROP_OUTPUT_DET_EPP_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for elastic peak positions.')
self.setPropertyGroup(common.PROP_OUTPUT_DET_EPP_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for calibrated incident energy.')
self.setPropertyGroup(common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_FLAT_BKG_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for flat background.')
self.setPropertyGroup(common.PROP_OUTPUT_FLAT_BKG_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInt = IntBoundedValidator(lower=0)
nonnegativeIntArray = IntArrayBoundedValidator()
nonnegativeIntArray.setLower(0)
nonnegativeFloatArray = FloatArrayBoundedValidator()
nonnegativeFloatArray.setLower(0.)
twoNonnegativeFloats = CompositeValidator()
twoNonnegativeFloats.add(FloatArrayLengthValidator(length=2))
twoNonnegativeFloats.add(nonnegativeFloatArray)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeIntArray)
self.declareProperty(MultipleFileProperty(
Prop.RUN, action=FileAction.OptionalLoad, extensions=['nxs']),
doc='A list of input run numbers/files.')
self.declareProperty(
MatrixWorkspaceProperty(Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('TOF'),
optional=PropertyMode.Optional),
doc='An input workspace (units TOF) if no Run is specified.')
self.declareProperty(
ITableWorkspaceProperty(Prop.BEAM_POS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A beam position table corresponding to InputWorkspace.')
self.declareProperty(Prop.BEAM_ANGLE,
defaultValue=Property.EMPTY_DBL,
doc='A user-defined beam angle (unit degrees).')
self.declareProperty(
name=Prop.BEAM_CENTRE,
defaultValue=Property.EMPTY_DBL,
doc='A workspace index corresponding to the beam centre.')
self.declareProperty(
MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc=
'The preprocessed output workspace (unit wavelength), single histogram.'
)
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator(
[SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=common.WSCleanup.ON,
validator=StringListValidator(
[common.WSCleanup.ON, common.WSCleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(
ITableWorkspaceProperty(Prop.DIRECT_BEAM_POS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A beam position table from a direct beam measurement.')
self.declareProperty(MatrixWorkspaceProperty(
Prop.WATER_REFERENCE,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator("TOF"),
optional=PropertyMode.Optional),
doc='A (water) calibration workspace (unit TOF).')
self.declareProperty(Prop.SLIT_NORM,
defaultValue=SlitNorm.OFF,
validator=StringListValidator(
[SlitNorm.OFF, SlitNorm.ON]),
doc='Enable or disable slit normalisation.')
self.declareProperty(Prop.FLUX_NORM_METHOD,
defaultValue=FluxNormMethod.TIME,
validator=StringListValidator([
FluxNormMethod.TIME, FluxNormMethod.MONITOR,
FluxNormMethod.OFF
]),
doc='Neutron flux normalisation method.')
self.declareProperty(
IntArrayProperty(Prop.FOREGROUND_HALF_WIDTH,
validator=maxTwoNonnegativeInts),
doc=
'Number of foreground pixels at lower and higher angles from the centre pixel.'
)
self.declareProperty(
Prop.BKG_METHOD,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator(
[BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.'
)
self.declareProperty(
Prop.LOW_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc=
'Distance of flat background region towards smaller detector angles from the foreground centre, '
+ 'in pixels.')
self.declareProperty(
Prop.LOW_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc=
'Width of flat background region towards smaller detector angles from the foreground centre, in pixels.'
)
self.declareProperty(
Prop.HIGH_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc=
'Distance of flat background region towards larger detector angles from the foreground centre, in pixels.'
)
self.declareProperty(
Prop.HIGH_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc=
'Width of flat background region towards larger detector angles from the foreground centre, in pixels.'
)
self.declareProperty(ITableWorkspaceProperty(
Prop.OUTPUT_BEAM_POS_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output the beam position table.')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInt = IntBoundedValidator(lower=0)
wsIndexRange = IntBoundedValidator(lower=0, upper=255)
nonnegativeIntArray = IntArrayBoundedValidator(lower=0)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeIntArray)
self.declareProperty(MultipleFileProperty(Prop.RUN,
extensions=['nxs']),
doc='A list of input run numbers/files.')
self.declareProperty(MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The preprocessed output workspace (unit wavelength), single histogram.')
self.declareProperty('Measurement', 'DirectBeam',
StringListValidator(['DirectBeam', 'ReflectedBeam']),
'Whether to process as direct or reflected beam.')
self.declareProperty('AngleOption', 'SampleAngle',
StringListValidator(['SampleAngle', 'DetectorAngle', 'UserAngle']))
self.setPropertySettings('AngleOption',
EnabledWhenProperty('Measurement', PropertyCriterion.IsEqualTo, 'ReflectedBeam'))
self.declareProperty(Prop.THETA,
defaultValue=-1.,
doc='The bragg angle for reflected beam [Degree], used if angle option is UserAngle.')
self.setPropertySettings(Prop.THETA,
EnabledWhenProperty('AngleOption', PropertyCriterion.IsEqualTo, 'UserAngle'))
self.declareProperty('DirectBeamDetectorAngle', -1.,
'The detector angle value [Degree] for the corresponding direct beam, '
'used if angle option is DetectorAngle')
self.declareProperty('DirectBeamForegroundCentre', -1.,
'Fractional pixel index for the direct beam, used if angle option is DetectorAngle.')
self.setPropertySettings('DirectBeamDetectorAngle',
EnabledWhenProperty('AngleOption', PropertyCriterion.IsEqualTo, 'DetectorAngle'))
self.setPropertySettings('DirectBeamForegroundCentre',
EnabledWhenProperty('AngleOption', PropertyCriterion.IsEqualTo, 'DetectorAngle'))
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(MatrixWorkspaceProperty(Prop.WATER_REFERENCE,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator("TOF"),
optional=PropertyMode.Optional),
doc='A (water) calibration workspace (unit TOF).')
self.declareProperty(Prop.SLIT_NORM,
defaultValue=SlitNorm.AUTO,
validator=StringListValidator([SlitNorm.AUTO, SlitNorm.OFF, SlitNorm.ON]),
doc='Enable or disable slit normalisation.')
self.declareProperty(Prop.FLUX_NORM_METHOD,
defaultValue=FluxNormMethod.TIME,
validator=StringListValidator([FluxNormMethod.TIME,
FluxNormMethod.MONITOR,
FluxNormMethod.OFF]),
doc='Neutron flux normalisation method.')
self.declareProperty(IntArrayProperty(Prop.FOREGROUND_HALF_WIDTH,
validator=maxTwoNonnegativeInts),
doc='Number of foreground pixels at lower and higher angles from the centre pixel.')
self.declareProperty(Prop.BKG_METHOD,
defaultValue=BkgMethod.AVERAGE,
validator=StringListValidator([BkgMethod.AVERAGE, BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.')
self.declareProperty(Prop.LOW_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(Prop.LOW_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels.')
self.declareProperty(Prop.START_WS_INDEX,
validator=wsIndexRange,
defaultValue=0,
doc='Start workspace index used for peak fitting.')
self.declareProperty(Prop.END_WS_INDEX,
validator=wsIndexRange,
defaultValue=255,
doc='Last workspace index used for peak fitting.')
self.declareProperty(Prop.XMIN,
defaultValue=-1.,
doc='Minimum wavelength [Angstrom] used for peak fitting.')
self.declareProperty(Prop.XMAX,
defaultValue=-1.,
doc='Maximum wavelength [Angstrom] used for peak fitting.')
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_REBINNING = 'Rebinning for SofQW'
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to reduce.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The reduced S(Q, DeltaE) workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator([
common.CLEANUP_ON,
common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_VANA_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='An integrated vanadium workspace.')
self.declareProperty(name=common.PROP_ABSOLUTE_UNITS,
defaultValue=common.ABSOLUTE_UNITS_OFF,
validator=StringListValidator([
common.ABSOLUTE_UNITS_OFF,
common.ABSOLUTE_UNITS_ON]),
direction=Direction.Input,
doc='Enable or disable normalisation to absolute units.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_DIAGNOSTICS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Detector diagnostics workspace for masking.')
self.declareProperty(FloatArrayProperty(name=common.PROP_REBINNING_PARAMS_W),
doc='Manual energy rebinning parameters.')
self.setPropertyGroup(common.PROP_REBINNING_PARAMS_W, PROPGROUP_REBINNING)
self.declareProperty(FloatArrayProperty(name=common.PROP_BINNING_PARAMS_Q),
doc='Manual q rebinning parameters.')
self.setPropertyGroup(common.PROP_BINNING_PARAMS_Q, PROPGROUP_REBINNING)
self.declareProperty(name=common.PROP_TRANSPOSE_SAMPLE_OUTPUT,
defaultValue=common.TRANSPOSING_ON,
validator=StringListValidator([
common.TRANSPOSING_ON,
common.TRANSPOSING_OFF]),
direction=Direction.Input,
doc='Enable or disable ' + common.PROP_OUTPUT_WS + ' transposing.')
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_THETA_W_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for reduced S(theta, DeltaE).')
self.setPropertyGroup(common.PROP_OUTPUT_THETA_W_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_FLAT_BKG = 'Flat Time-Independent Background'
PROPGROUP_INCIDENT_ENERGY_CALIBRATION = 'Indicent Energy Calibration'
PROPGROUP_MON_NORMALISATION = 'Neutron Flux Normalisation'
# Validators.
mandatoryPositiveInt = CompositeValidator()
mandatoryPositiveInt.add(IntMandatoryValidator())
mandatoryPositiveInt.add(IntBoundedValidator(lower=0))
positiveFloat = FloatBoundedValidator(lower=0)
positiveInt = IntBoundedValidator(lower=0)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(MultipleFileProperty(name=common.PROP_INPUT_FILE,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='An input run number (or a list thereof) or a filename.')
self.getProperty(common.PROP_INPUT_FILE).setAutoTrim(False)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='Input workspace if no run is given.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A flux normalized and background subtracted workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([
utils.Cleanup.ON,
utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(name=common.PROP_EPP_METHOD,
defaultValue=common.EPP_METHOD_AUTO,
validator=StringListValidator([
common.EPP_METHOD_AUTO,
common.EPP_METHOD_FIT,
common.EPP_METHOD_CALCULATE]),
direction=Direction.Input,
doc='Method to create the EPP table for detectors (monitor is awlays fitted).')
self.declareProperty(name=common.PROP_EPP_SIGMA,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Nominal sigma for the EPP table when ' + common.PROP_EPP_METHOD
+ ' is set to ' + common.EPP_METHOD_CALCULATE
+ ' (default: 10 times the first bin width).')
self.declareProperty(name=common.PROP_ELASTIC_CHANNEL_MODE,
defaultValue=common.ELASTIC_CHANNEL_AUTO,
validator=StringListValidator([
common.ELASTIC_CHANNEL_AUTO,
common.ELASTIC_CHANNEL_SAMPLE_LOG,
common.ELASTIC_CHANNEL_FIT]),
direction=Direction.Input,
doc='How to acquire the nominal elastic channel.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_ELASTIC_CHANNEL_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A single value workspace containing the nominal elastic channel index'
'(can be floating point). Overrides {}.'.format(common.PROP_ELASTIC_CHANNEL_MODE))
self.declareProperty(name=common.PROP_MON_INDEX,
defaultValue=Property.EMPTY_INT,
validator=positiveInt,
direction=Direction.Input,
doc='Index of the incident monitor, if not specified in instrument parameters.')
self.declareProperty(name=common.PROP_INCIDENT_ENERGY_CALIBRATION,
defaultValue=common.INCIDENT_ENERGY_CALIBRATION_AUTO,
validator=StringListValidator([
common.INCIDENT_ENERGY_CALIBRATION_AUTO,
common.INCIDENT_ENERGY_CALIBRATION_ON,
common.INCIDENT_ENERGY_CALIBRATION_OFF]),
direction=Direction.Input,
doc='Control the incident energy calibration.')
self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_CALIBRATION, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INCIDENT_ENERGY_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A single-valued workspace holding a previously determined ' + 'incident energy.')
self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_WS, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
self.declareProperty(name=common.PROP_FLAT_BKG,
defaultValue=common.BKG_AUTO,
validator=StringListValidator([
common.BKG_AUTO,
common.BKG_ON,
common.BKG_OFF]),
direction=Direction.Input,
doc='Control flat background subtraction.')
self.setPropertyGroup(common.PROP_FLAT_BKG, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_FLAT_BKG_SCALING,
defaultValue=1.0,
validator=positiveFloat,
direction=Direction.Input,
doc='Flat background multiplication factor.')
self.setPropertyGroup(common.PROP_FLAT_BKG_SCALING, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_FLAT_BKG_WINDOW,
defaultValue=30,
validator=mandatoryPositiveInt,
direction=Direction.Input,
doc='Running average window width (in bins) for flat background.')
self.setPropertyGroup(common.PROP_FLAT_BKG_WINDOW, PROPGROUP_FLAT_BKG)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_FLAT_BKG_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Workspace with previously determined flat background data.')
self.setPropertyGroup(common.PROP_FLAT_BKG_WS, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_DET_HOR_GROUPING,
defaultValue=1,
doc='Step to use when grouping detectors horizontally (between tubes) to increase'
' the statistics for flat background calculation.')
self.setPropertyGroup(common.PROP_DET_HOR_GROUPING, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_DET_VER_GROUPING,
defaultValue=1,
doc='Step to use when grouping detectors vertically (inside the same tube)'
' to increase the statistics for flat background calculation.')
self.setPropertyGroup(common.PROP_DET_VER_GROUPING, PROPGROUP_FLAT_BKG)
self.declareProperty(name=common.PROP_NORMALISATION,
defaultValue=common.NORM_METHOD_MON,
validator=StringListValidator([
common.NORM_METHOD_MON,
common.NORM_METHOD_TIME,
common.NORM_METHOD_OFF]),
direction=Direction.Input,
doc='Normalisation method.')
self.setPropertyGroup(common.PROP_NORMALISATION, PROPGROUP_MON_NORMALISATION)
self.declareProperty(name=common.PROP_MON_PEAK_SIGMA_MULTIPLIER,
defaultValue=7.0,
validator=positiveFloat,
direction=Direction.Input,
doc="Width of the monitor peak in multiples " + " of 'Sigma' in monitor's EPP table.")
self.setPropertyGroup(common.PROP_MON_PEAK_SIGMA_MULTIPLIER, PROPGROUP_MON_NORMALISATION)
# Rest of the output properties.
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_RAW_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Non-normalized and non-background subtracted output workspace for DirectILLDiagnostics.')
self.setPropertyGroup(common.PROP_OUTPUT_RAW_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for elastic channel index.')
self.setPropertyGroup(common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(ITableWorkspaceProperty(
name=common.PROP_OUTPUT_DET_EPP_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for elastic peak positions.')
self.setPropertyGroup(common.PROP_OUTPUT_DET_EPP_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for calibrated incident energy.')
self.setPropertyGroup(common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_FLAT_BKG_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for flat background.')
self.setPropertyGroup(common.PROP_OUTPUT_FLAT_BKG_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
mandatoryInputRuns = CompositeValidator()
mandatoryInputRuns.add(StringArrayMandatoryValidator())
self.declareProperty(StringArrayProperty('SampleRuns',
values=[],
validator=mandatoryInputRuns),
doc='Comma separated range of sample runs,\n'
' eg [cycle::] 7333-7341,7345')
self.declareProperty(
name='EmptyRuns',
defaultValue='',
doc='Optional path followed by comma separated range of runs,\n'
'looking for runs in the sample folder if path not included,\n'
' eg [cycle::] 6300-6308')
self.declareProperty(name='ScaleEmptyRuns',
defaultValue=1.0,
doc='Scale the empty runs prior to subtraction')
self.declareProperty(
name='CalibrationRuns',
defaultValue='',
doc='Optional path followed by comma separated range of runs,\n'
'looking for runs in the sample folder if path not included,\n'
' eg [cycle::] 6350-6365')
self.declareProperty(
name='EmptyCalibrationRuns',
defaultValue='',
doc='Optional path followed by comma separated range of runs,\n'
'looking for runs in the sample folder if path not included,\n'
' eg [cycle::] 6370-6375')
self.declareProperty(
name='EnergyTransfer',
defaultValue='0.0, 0.02, 3.0',
doc='Energy transfer range in meV expressed as min, step, max')
self.declareProperty(
name='MomentumTransfer',
defaultValue='',
doc='Momentum transfer range in inverse Angstroms,\n'
'expressed as min, step, max. Default estimates\n'
'the max range based on energy transfer.')
self.declareProperty(
name='LambdaOnTwoMode',
defaultValue=False,
doc='Set if instrument running in lambda on two mode.')
self.declareProperty(
name='FrameOverlap',
defaultValue=False,
doc='Set if the energy transfer extends over a frame.')
self.declareProperty(name='FixedDetector',
defaultValue=True,
doc='Fix detector positions to the first run')
self.declareProperty(FileProperty('ScratchFolder',
'',
action=FileAction.OptionalDirectory,
direction=Direction.Input),
doc='Path to save and restore merged workspaces.')
mandatoryOutputFolder = CompositeValidator()
mandatoryOutputFolder.add(StringArrayMandatoryValidator())
self.declareProperty(FileProperty('OutputFolder',
'',
action=FileAction.Directory,
direction=Direction.Input),
doc='Path to save the output nxspe files.')
self.declareProperty(
FileProperty('ConfigurationFile',
'',
action=FileAction.OptionalLoad,
extensions=['ini']),
doc='Optional: INI file to override default processing values.')
self.declareProperty(name='KeepReducedWorkspace',
defaultValue=False,
doc='Keep the last reduced workspace.')
def PyInit(self):
self.declareProperty(MultipleFileProperty('CalibrationRun', action=FileAction.Load, extensions=['nxs']),
doc='File path of calibration runs (numors). Must be detector scans.')
self.declareProperty(FileProperty('CalibrationFile', '', action=FileAction.OptionalLoad, extensions=['nxs']),
doc='Optional file containing previous calibration constants.')
self.declareProperty(name='CalibrationMethod',
defaultValue='Median',
validator=StringListValidator(['Median', 'Mean', 'MostLikelyMean']),
doc='The method of how the calibration constant of a pixel '
'is derived from the distribution of ratios.')
self.declareProperty(name='DerivationMethod', defaultValue='SequentialSummedReference1D',
validator=StringListValidator(['SequentialSummedReference1D', 'GlobalSummedReference2D']),
doc='Choose sequential for D20 (1D detector), global for D2B (2D detector).')
self.declareProperty(name='InterpolateOverlappingAngles', defaultValue=False,
doc='Whether to interpolate scattering angle values in overlapping regions (D20 only).')
self.declareProperty(name='NormaliseTo',
defaultValue='None',
validator=StringListValidator(['None', 'Monitor', 'ROI']),
doc='Normalise to monitor or ROI counts before deriving the calibration.')
thetaRangeValidator = FloatArrayOrderedPairsValidator()
self.declareProperty(FloatArrayProperty(name='ROI', values=[0,100.], validator=thetaRangeValidator),
doc='Scattering angle regions of interest for normalisation [degrees].')
normaliseToROI = VisibleWhenProperty('NormaliseTo', PropertyCriterion.IsEqualTo, 'ROI')
self.setPropertySettings('ROI', normaliseToROI)
self.declareProperty(FloatArrayProperty(name='ExcludedRange', values=[], validator=thetaRangeValidator),
doc='Scattering angle regions to exclude from the computation of '
'relative calibration constants; for example, the beam stop [degrees]. ')
pixelRangeValidator = CompositeValidator()
greaterThanOne = IntArrayBoundedValidator()
greaterThanOne.setLower(1)
lengthTwo = IntArrayLengthValidator()
lengthTwo.setLength(2)
orderedPairsValidator = IntArrayOrderedPairsValidator()
pixelRangeValidator.add(greaterThanOne)
pixelRangeValidator.add(lengthTwo)
pixelRangeValidator.add(orderedPairsValidator)
self.declareProperty(IntArrayProperty(name='PixelRange', values=[1,3072], validator=pixelRangeValidator),
doc='Range of the pixel numbers to compute the calibration factors for (D20 only); '
'for the other pixels outside the range, the factor will be set to 1.')
self.declareProperty(MatrixWorkspaceProperty('OutputResponseWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Output),
doc='Output workspace containing the summed diffraction patterns of all the overlapping pixels.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Output workspace containing the calibration constants (inverse of efficiency) for each pixel.')
self.declareProperty(name='NumberOfIterations',
defaultValue=1,
validator=IntBoundedValidator(lower=0, upper=10),
doc='Number of iterations to perform (D2B only): 0 means auto; that is, the '
'iterations will terminate after reaching some Chi2/NdoF.')
maskCriterionValidator = CompositeValidator()
arrayLengthTwo = FloatArrayLengthValidator()
arrayLengthTwo.setLengthMax(2)
orderedPairs = FloatArrayOrderedPairsValidator()
maskCriterionValidator.add(arrayLengthTwo)
maskCriterionValidator.add(orderedPairs)
self.declareProperty(FloatArrayProperty(name='MaskCriterion', values=[], validator=maskCriterionValidator),
doc='Efficiency constants outside this range will be set to zero.')
self.declareProperty(name='UseCalibratedData',
defaultValue=False,
doc='Whether or not to use the calibrated data in the NeXus files (D2B only).')
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_SIMULATION_INSTRUMENT = 'Simulation Instrument Settings'
greaterThanOneInt = IntBoundedValidator(lower=2)
greaterThanTwoInt = IntBoundedValidator(lower=3)
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
# Properties.
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='A workspace for which to simulate the self shielding.')
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='A workspace containing the self shielding correction factors.'
)
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(
name=common.PROP_SIMULATION_INSTRUMENT,
defaultValue=common.SIMULATION_INSTRUMEN_SPARSE,
validator=StringListValidator([
common.SIMULATION_INSTRUMEN_SPARSE,
common.SIMULATION_INSTRUMENT_FULL
]),
direction=Direction.Input,
doc=
'Select if the simulation should be performed on full or approximated instrument.'
)
self.setPropertyGroup(common.PROP_SIMULATION_INSTRUMENT,
PROPGROUP_SIMULATION_INSTRUMENT)
self.declareProperty(
name=common.PROP_SPARSE_INSTRUMENT_ROWS,
defaultValue=5,
validator=greaterThanTwoInt,
direction=Direction.Input,
doc='Number of detector rows in sparse simulation instrument.')
self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_ROWS,
PROPGROUP_SIMULATION_INSTRUMENT)
self.setPropertySettings(
common.PROP_SPARSE_INSTRUMENT_ROWS,
EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
PropertyCriterion.IsEqualTo,
common.SIMULATION_INSTRUMEN_SPARSE))
self.declareProperty(
name=common.PROP_SPARSE_INSTRUMENT_COLUMNS,
defaultValue=20,
validator=greaterThanOneInt,
direction=Direction.Input,
doc='Number of detector columns in sparse simulation instrument.')
self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_COLUMNS,
PROPGROUP_SIMULATION_INSTRUMENT)
self.setPropertySettings(
common.PROP_SPARSE_INSTRUMENT_COLUMNS,
EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
PropertyCriterion.IsEqualTo,
common.SIMULATION_INSTRUMEN_SPARSE))
self.declareProperty(
name=common.PROP_NUMBER_OF_SIMULATION_WAVELENGTHS,
defaultValue=Property.EMPTY_INT,
validator=greaterThanTwoInt,
direction=Direction.Input,
doc=
'Number of wavelength points where the simulation is performed (default: all).'
)
def PyInit(self):
# ---------------
# INPUT
# ---------------
# State
self.declareProperty('SANSState', '',
doc='A JSON string which fulfills the SANSState contract.')
self.declareProperty('WavelengthMin', '', doc='Minimum Wavelength of associated workspace')
self.declareProperty('WavelengthMax', '', doc='Maximum Wavelength of associated workspace')
# Input workspaces
self.declareProperty(MatrixWorkspaceProperty('TransmissionWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The transmission workspace.')
self.declareProperty(MatrixWorkspaceProperty('DirectWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The direct workspace.')
self.declareProperty(MatrixWorkspaceProperty('MonitorWorkspace', '',
optional=PropertyMode.Optional, direction=Direction.Input),
doc='The scatter monitor workspace. This workspace only contains monitors.')
workspace_validator = CompositeValidator()
workspace_validator.add(WorkspaceUnitValidator("Wavelength"))
self.declareProperty(MatrixWorkspaceProperty('SampleData', '',
optional=PropertyMode.Optional, direction=Direction.Input,
validator=workspace_validator),
doc='A workspace cropped to the detector to be reduced (the SAME as the input to Q1D). '
'This used to verify the solid angle. The workspace is not modified, just inspected.')
# The component
allowed_detector_types = StringListValidator([DetectorType.HAB.value,
DetectorType.LAB.value])
self.declareProperty("Component", DetectorType.LAB.value,
validator=allowed_detector_types, direction=Direction.Input,
doc="The component of the instrument which is currently being investigated.")
# The data type
allowed_data = StringListValidator([DataType.SAMPLE.value,
DataType.CAN.value])
self.declareProperty("DataType", DataType.SAMPLE.value,
validator=allowed_data, direction=Direction.Input,
doc="The component of the instrument which is to be reduced.")
# Slice factor for monitor
self.declareProperty('SliceEventFactor', 1.0, direction=Direction.Input, doc='The slice factor for the monitor '
'normalization. This factor is the'
' one obtained from event '
'slicing.')
# ---------------
# Output
# ---------------
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceWavelengthAdjustment', '',
direction=Direction.Output),
doc='The workspace for wavelength-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspacePixelAdjustment', '',
direction=Direction.Output),
doc='The workspace for wavelength-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceWavelengthAndPixelAdjustment', '',
direction=Direction.Output),
doc='The workspace for, both, wavelength- and pixel-based adjustments.')
self.declareProperty(MatrixWorkspaceProperty('CalculatedTransmissionWorkspace', ''
, optional=PropertyMode.Optional, direction=Direction.Output),
doc='The calculated transmission workspace')
self.declareProperty(MatrixWorkspaceProperty('UnfittedTransmissionWorkspace', ''
, optional=PropertyMode.Optional, direction=Direction.Output),
doc='The unfitted transmission workspace')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInt = IntBoundedValidator(lower=0)
nonnegativeIntArray = IntArrayBoundedValidator()
nonnegativeIntArray.setLower(0)
nonnegativeFloatArray = FloatArrayBoundedValidator()
nonnegativeFloatArray.setLower(0.)
twoNonnegativeFloats = CompositeValidator()
twoNonnegativeFloats.add(FloatArrayLengthValidator(length=2))
twoNonnegativeFloats.add(nonnegativeFloatArray)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeIntArray)
self.declareProperty(MultipleFileProperty(Prop.RUN,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of input run numbers/files.')
self.declareProperty(MatrixWorkspaceProperty(Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('TOF'),
optional=PropertyMode.Optional),
doc='An input workspace (units TOF) if no Run is specified.')
self.declareProperty(ITableWorkspaceProperty(Prop.BEAM_POS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A beam position table corresponding to InputWorkspace.')
self.declareProperty(Prop.BEAM_ANGLE,
defaultValue=Property.EMPTY_DBL,
doc='A user-defined beam angle (unit degrees).')
self.declareProperty(name=Prop.BEAM_CENTRE,
defaultValue=Property.EMPTY_DBL,
doc='A workspace index corresponding to the beam centre.')
self.declareProperty(MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The preprocessed output workspace (unit wavelength), single histogram.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(Prop.CLEANUP,
defaultValue=common.WSCleanup.ON,
validator=StringListValidator([common.WSCleanup.ON, common.WSCleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(ITableWorkspaceProperty(Prop.DIRECT_BEAM_POS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A beam position table from a direct beam measurement.')
self.declareProperty(MatrixWorkspaceProperty(Prop.WATER_REFERENCE,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator("TOF"),
optional=PropertyMode.Optional),
doc='A (water) calibration workspace (unit TOF).')
self.declareProperty(Prop.SLIT_NORM,
defaultValue=SlitNorm.OFF,
validator=StringListValidator([SlitNorm.OFF, SlitNorm.ON]),
doc='Enable or disable slit normalisation.')
self.declareProperty(Prop.FLUX_NORM_METHOD,
defaultValue=FluxNormMethod.TIME,
validator=StringListValidator([FluxNormMethod.TIME, FluxNormMethod.MONITOR, FluxNormMethod.OFF]),
doc='Neutron flux normalisation method.')
self.declareProperty(IntArrayProperty(Prop.FOREGROUND_HALF_WIDTH,
validator=maxTwoNonnegativeInts),
doc='Number of foreground pixels at lower and higher angles from the centre pixel.')
self.declareProperty(Prop.BKG_METHOD,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator([BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.')
self.declareProperty(Prop.LOW_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards smaller detector angles from the foreground centre, ' +
'in pixels.')
self.declareProperty(Prop.LOW_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards smaller detector angles from the foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards larger detector angles from the foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards larger detector angles from the foreground centre, in pixels.')
self.declareProperty(ITableWorkspaceProperty(Prop.OUTPUT_BEAM_POS_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output the beam position table.')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
threeNonnegativeInts = CompositeValidator()
threeNonnegativeInts.add(IntArrayLengthValidator(3))
nonnegativeInts = IntArrayBoundedValidator(lower=0)
threeNonnegativeInts.add(nonnegativeInts)
nonnegativeFloatArray = FloatArrayBoundedValidator(lower=0.)
inWavelength = WorkspaceUnitValidator('Wavelength')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=inWavelength),
doc='A reflected beam workspace (units wavelength).')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The summed foreground workspace.')
self.declareProperty(
Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(
Prop.SUM_TYPE,
defaultValue=SumType.IN_LAMBDA,
validator=StringListValidator([SumType.IN_LAMBDA, SumType.IN_Q]),
doc='Type of summation to perform.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.DIRECT_FOREGROUND_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=inWavelength),
doc='Summed direct beam workspace (units wavelength).')
self.declareProperty(
IntArrayProperty(
Prop.FOREGROUND_INDICES,
values=[Property.EMPTY_INT, Property.EMPTY_INT, Property.EMPTY_INT],
validator=threeNonnegativeInts),
doc='A three element array of foreground start, centre and end workspace indices.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.DIRECT_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=inWavelength),
doc='The (not summed) direct beam workspace (units wavelength).')
self.declareProperty(
FloatArrayProperty(
Prop.WAVELENGTH_RANGE,
values=[0.],
validator=nonnegativeFloatArray),
doc='The wavelength bounds.')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInt = IntBoundedValidator(lower=0)
wsIndexRange = IntBoundedValidator(lower=0, upper=255)
nonnegativeIntArray = IntArrayBoundedValidator(lower=0)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeIntArray)
self.declareProperty(MultipleFileProperty(Prop.RUN,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of input run numbers/files.')
self.declareProperty(MatrixWorkspaceProperty(Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('TOF'),
optional=PropertyMode.Optional),
doc='An input workspace (units TOF) if no Run is specified.')
self.declareProperty(MatrixWorkspaceProperty(Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The preprocessed output workspace (unit wavelength), single histogram.')
self.declareProperty(Prop.TWO_THETA,
defaultValue=Property.EMPTY_DBL,
doc='A user-defined scattering angle 2 theta (unit degrees).')
self.declareProperty(name=Prop.LINE_POSITION,
defaultValue=Property.EMPTY_DBL,
doc='A workspace index corresponding to the beam centre between 0.0 and 255.0.')
self.declareProperty(MatrixWorkspaceProperty(Prop.DIRECT_LINE_WORKSPACE,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A pre-processed direct beam workspace.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(MatrixWorkspaceProperty(Prop.WATER_REFERENCE,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator("TOF"),
optional=PropertyMode.Optional),
doc='A (water) calibration workspace (unit TOF).')
self.declareProperty(Prop.SLIT_NORM,
defaultValue=SlitNorm.OFF,
validator=StringListValidator([SlitNorm.OFF, SlitNorm.ON]),
doc='Enable or disable slit normalisation.')
self.declareProperty(Prop.FLUX_NORM_METHOD,
defaultValue=FluxNormMethod.TIME,
validator=StringListValidator([FluxNormMethod.TIME,
FluxNormMethod.MONITOR,
FluxNormMethod.OFF]),
doc='Neutron flux normalisation method.')
self.declareProperty(IntArrayProperty(Prop.FOREGROUND_HALF_WIDTH,
validator=maxTwoNonnegativeInts),
doc='Number of foreground pixels at lower and higher angles from the centre pixel.')
self.declareProperty(Prop.BKG_METHOD,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator([BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.')
self.declareProperty(Prop.LOW_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards smaller detector angles from the ' +
'foreground centre, in pixels.')
self.declareProperty(Prop.LOW_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards smaller detector angles from the ' +
'foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_OFFSET,
defaultValue=7,
validator=nonnegativeInt,
doc='Distance of flat background region towards larger detector angles from the ' +
'foreground centre, in pixels.')
self.declareProperty(Prop.HIGH_BKG_WIDTH,
defaultValue=5,
validator=nonnegativeInt,
doc='Width of flat background region towards larger detector angles from the ' +
'foreground centre, in pixels.')
self.declareProperty(Prop.START_WS_INDEX,
validator=wsIndexRange,
defaultValue=0,
doc='Start workspace index used for peak fitting.')
self.declareProperty(Prop.END_WS_INDEX,
validator=wsIndexRange,
defaultValue=255,
doc='Last workspace index used for peak fitting.')
self.declareProperty(Prop.XMIN,
defaultValue=Property.EMPTY_DBL,
doc='Minimum x value (unit Angstrom) used for peak fitting.')
self.declareProperty(Prop.XMAX,
defaultValue=Property.EMPTY_DBL,
doc='Maximum x value (unit Angstrom) used for peak fitting.')
def PyInit(self):
self.declareProperty(
MultipleFileProperty('CalibrationRun',
action=FileAction.Load,
extensions=['nxs']),
doc=
'File path of calibration runs (numors). Must be detector scans.')
self.declareProperty(
FileProperty('CalibrationFile',
'',
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='Optional file containing previous calibration constants.')
self.declareProperty(
name='CalibrationMethod',
defaultValue='Median',
validator=StringListValidator(['Median', 'Mean',
'MostLikelyMean']),
doc='The method of how the calibration constant of a pixel '
'is derived from the distribution of ratios.')
self.declareProperty(
name='DerivationMethod',
defaultValue='SequentialSummedReference1D',
validator=StringListValidator(
['SequentialSummedReference1D', 'GlobalSummedReference2D']),
doc=
'Choose sequential for D20 (1D detector), global for D2B (2D detector).'
)
self.declareProperty(
name='InterpolateOverlappingAngles',
defaultValue=False,
doc=
'Whether to interpolate scattering angle values in overlapping regions (D20 only).'
)
self.declareProperty(
name='NormaliseTo',
defaultValue='None',
validator=StringListValidator(['None', 'Monitor', 'ROI']),
doc=
'Normalise to monitor or ROI counts before deriving the calibration.'
)
thetaRangeValidator = FloatArrayOrderedPairsValidator()
self.declareProperty(
FloatArrayProperty(name='ROI',
values=[0, 100.],
validator=thetaRangeValidator),
doc=
'Scattering angle regions of interest for normalisation [degrees].'
)
normaliseToROI = VisibleWhenProperty('NormaliseTo',
PropertyCriterion.IsEqualTo,
'ROI')
self.setPropertySettings('ROI', normaliseToROI)
self.declareProperty(
FloatArrayProperty(name='ExcludedRange',
values=[],
validator=thetaRangeValidator),
doc='Scattering angle regions to exclude from the computation of '
'relative calibration constants; for example, the beam stop [degrees]. '
)
pixelRangeValidator = CompositeValidator()
greaterThanOne = IntArrayBoundedValidator(lower=1)
lengthTwo = IntArrayLengthValidator()
lengthTwo.setLength(2)
orderedPairsValidator = IntArrayOrderedPairsValidator()
pixelRangeValidator.add(greaterThanOne)
pixelRangeValidator.add(lengthTwo)
pixelRangeValidator.add(orderedPairsValidator)
self.declareProperty(
IntArrayProperty(name='PixelRange',
values=[1, 3072],
validator=pixelRangeValidator),
doc=
'Range of the pixel numbers to compute the calibration factors for (D20 only); '
'for the other pixels outside the range, the factor will be set to 1.'
)
self.declareProperty(
MatrixWorkspaceProperty('OutputResponseWorkspace',
'',
optional=PropertyMode.Optional,
direction=Direction.Output),
doc=
'Output workspace containing the summed diffraction patterns of all the overlapping pixels.'
)
self.declareProperty(
MatrixWorkspaceProperty('OutputWorkspace',
'',
direction=Direction.Output),
doc=
'Output workspace containing the calibration constants (inverse of efficiency) for each pixel.'
)
self.declareProperty(
name='NumberOfIterations',
defaultValue=1,
validator=IntBoundedValidator(lower=0, upper=10),
doc=
'Number of iterations to perform (D2B only): 0 means auto; that is, the '
'iterations will terminate after reaching some Chi2/NdoF.')
maskCriterionValidator = CompositeValidator()
arrayLengthTwo = FloatArrayLengthValidator()
arrayLengthTwo.setLengthMax(2)
orderedPairs = FloatArrayOrderedPairsValidator()
maskCriterionValidator.add(arrayLengthTwo)
maskCriterionValidator.add(orderedPairs)
self.declareProperty(
FloatArrayProperty(name='MaskCriterion',
values=[],
validator=maskCriterionValidator),
doc='Efficiency constants outside this range will be set to zero.')
self.declareProperty(
name='UseCalibratedData',
defaultValue=False,
doc=
'Whether or not to use the calibrated data in the NeXus files (D2B only).'
)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_REBINNING = 'Rebinning for SofQW'
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(0., exclusive=True)
validRebinParams = RebinParamsValidator(AllowEmpty=True)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to reduce.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The reduced S(Q, DeltaE) workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator(
[utils.Cleanup.ON, utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_VANA_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='An integrated vanadium workspace.')
self.declareProperty(
name=common.PROP_ABSOLUTE_UNITS,
defaultValue=common.ABSOLUTE_UNITS_OFF,
validator=StringListValidator(
[common.ABSOLUTE_UNITS_OFF, common.ABSOLUTE_UNITS_ON]),
direction=Direction.Input,
doc='Enable or disable normalisation to absolute units.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_DIAGNOSTICS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Detector diagnostics workspace for masking.')
self.declareProperty(
name=common.PROP_GROUPING_ANGLE_STEP,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
doc=
'A scattering angle step to which to group detectors, in degrees.')
self.declareProperty(FloatArrayProperty(
name=common.PROP_REBINNING_PARAMS_W, validator=validRebinParams),
doc='Manual energy rebinning parameters.')
self.setPropertyGroup(common.PROP_REBINNING_PARAMS_W,
PROPGROUP_REBINNING)
self.declareProperty(
name=common.PROP_REBINNING_W,
defaultValue='',
doc=
'Energy rebinning when mixing manual and automatic binning parameters.'
)
self.declareProperty(FloatArrayProperty(
name=common.PROP_BINNING_PARAMS_Q, validator=validRebinParams),
doc='Manual q rebinning parameters.')
self.setPropertyGroup(common.PROP_BINNING_PARAMS_Q,
PROPGROUP_REBINNING)
self.declareProperty(
name=common.PROP_TRANSPOSE_SAMPLE_OUTPUT,
defaultValue=common.TRANSPOSING_ON,
validator=StringListValidator(
[common.TRANSPOSING_ON, common.TRANSPOSING_OFF]),
direction=Direction.Input,
doc='Enable or disable ' + common.PROP_OUTPUT_WS + ' transposing.')
self.declareProperty(
WorkspaceProperty(name=common.PROP_OUTPUT_THETA_W_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for reduced S(theta, DeltaE).')
self.setPropertyGroup(common.PROP_OUTPUT_THETA_W_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_REBINNING = 'Rebinning for SofQW'
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(0., exclusive=True)
validRebinParams = RebinParamsValidator(AllowEmpty=True)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to reduce.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The reduced S(Q, DeltaE) workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([
utils.Cleanup.ON,
utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator([
common.SUBALG_LOGGING_OFF,
common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' +
'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_VANA_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='An integrated vanadium workspace.')
self.declareProperty(name=common.PROP_ABSOLUTE_UNITS,
defaultValue=common.ABSOLUTE_UNITS_OFF,
validator=StringListValidator([
common.ABSOLUTE_UNITS_OFF,
common.ABSOLUTE_UNITS_ON]),
direction=Direction.Input,
doc='Enable or disable normalisation to absolute units.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_DIAGNOSTICS_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Detector diagnostics workspace for masking.')
self.declareProperty(name=common.PROP_GROUPING_ANGLE_STEP,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
doc='A scattering angle step to which to group detectors, in degrees.')
self.declareProperty(FloatArrayProperty(name=common.PROP_REBINNING_PARAMS_W, validator=validRebinParams),
doc='Manual energy rebinning parameters.')
self.setPropertyGroup(common.PROP_REBINNING_PARAMS_W, PROPGROUP_REBINNING)
self.declareProperty(name=common.PROP_REBINNING_W,
defaultValue='',
doc='Energy rebinning when mixing manual and automatic binning parameters.')
self.declareProperty(FloatArrayProperty(name=common.PROP_BINNING_PARAMS_Q, validator=validRebinParams),
doc='Manual q rebinning parameters.')
self.setPropertyGroup(common.PROP_BINNING_PARAMS_Q, PROPGROUP_REBINNING)
self.declareProperty(name=common.PROP_TRANSPOSE_SAMPLE_OUTPUT,
defaultValue=common.TRANSPOSING_ON,
validator=StringListValidator([
common.TRANSPOSING_ON,
common.TRANSPOSING_OFF]),
direction=Direction.Input,
doc='Enable or disable ' + common.PROP_OUTPUT_WS + ' transposing.')
self.declareProperty(WorkspaceProperty(
name=common.PROP_OUTPUT_THETA_W_WS,
defaultValue='',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='Output workspace for reduced S(theta, DeltaE).')
self.setPropertyGroup(common.PROP_OUTPUT_THETA_W_WS,
common.PROPGROUP_OPTIONAL_OUTPUT)
def PyInit(self):
self.declareProperty(MatrixWorkspaceProperty(
'InputWorkspace', '', direction=Direction.Input),
doc='The input workspace.')
self.declareProperty(MatrixWorkspaceProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output workspace.')
self.declareProperty(name='OutputType',
defaultValue='I(Q)',
validator=StringListValidator(
['I(Q)', 'I(Qx,Qy)', 'I(Phi,Q)']),
doc='Choose the output type.')
self.declareProperty(name='CalculateResolution',
defaultValue='None',
validator=StringListValidator(
['MildnerCarpenter', 'DirectBeam', 'None']),
doc='Choose to calculate the Q resolution.')
output_iq = EnabledWhenProperty('OutputType',
PropertyCriterion.IsEqualTo, 'I(Q)')
output_iphiq = EnabledWhenProperty('OutputType',
PropertyCriterion.IsEqualTo,
'I(Phi,Q)')
output_iqxy = EnabledWhenProperty('OutputType',
PropertyCriterion.IsEqualTo,
'I(Qx,Qy)')
self.declareProperty(
name='DefaultQBinning',
defaultValue='PixelSizeBased',
validator=StringListValidator(
['PixelSizeBased', 'ResolutionBased']),
doc='Choose how to calculate the default Q binning.')
self.setPropertySettings(
'DefaultQBinning',
EnabledWhenProperty(output_iq, output_iphiq, LogicOperator.Or))
self.declareProperty(
name='BinningFactor',
defaultValue=1.,
validator=FloatBoundedValidator(lower=0.),
doc=
'Specify a multiplicative factor for default Q binning (pixel or resolution based).'
)
self.setPropertySettings(
'BinningFactor',
EnabledWhenProperty(output_iq, output_iphiq, LogicOperator.Or))
self.declareProperty(FloatArrayProperty('OutputBinning'),
doc='The manual Q binning of the output')
self.setPropertySettings(
'OutputBinning',
EnabledWhenProperty(output_iq, output_iphiq, LogicOperator.Or))
self.declareProperty('NPixelDivision', 1, IntBoundedValidator(lower=1),
'Number of subpixels to split the pixel (NxN)')
self.setPropertySettings(
'NPixelDivision',
EnabledWhenProperty(output_iq, output_iphiq, LogicOperator.Or))
iq_without_shapes = EnabledWhenProperty(
EnabledWhenProperty("ShapeTable", PropertyCriterion.IsDefault),
EnabledWhenProperty(output_iq, output_iphiq, LogicOperator.Or),
LogicOperator.And)
self.declareProperty(name='NumberOfWedges',
defaultValue=0,
validator=IntBoundedValidator(lower=0),
doc='Number of wedges to integrate separately.')
self.setPropertySettings('NumberOfWedges', iq_without_shapes)
iq_with_wedges = EnabledWhenProperty(
output_iq,
EnabledWhenProperty('NumberOfWedges',
PropertyCriterion.IsNotDefault),
LogicOperator.And)
iq_with_wedges_or_shapes = EnabledWhenProperty(
iq_with_wedges,
EnabledWhenProperty("ShapeTable", PropertyCriterion.IsNotDefault),
LogicOperator.Or)
iq_with_wedges_but_no_shapes = EnabledWhenProperty(
iq_with_wedges,
EnabledWhenProperty("ShapeTable", PropertyCriterion.IsDefault),
LogicOperator.And)
self.declareProperty(
WorkspaceGroupProperty('WedgeWorkspace',
'',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='WorkspaceGroup containing I(Q) for each azimuthal wedge.')
self.setPropertySettings('WedgeWorkspace', iq_with_wedges_or_shapes)
self.declareProperty(name='WedgeAngle',
defaultValue=30.,
validator=FloatBoundedValidator(lower=0.),
doc='Wedge opening angle [degrees].')
self.setPropertySettings('WedgeAngle', iq_with_wedges_but_no_shapes)
self.declareProperty(name='WedgeOffset',
defaultValue=0.,
validator=FloatBoundedValidator(lower=0.),
doc='Wedge offset angle from x+ axis.')
self.setPropertySettings('WedgeOffset', iq_with_wedges_but_no_shapes)
self.declareProperty(name='AsymmetricWedges',
defaultValue=False,
doc='Whether to have asymmetric wedges.')
self.setPropertySettings('AsymmetricWedges', iq_with_wedges_or_shapes)
self.setPropertyGroup('DefaultQBinning', 'I(Q) Options')
self.setPropertyGroup('BinningFactor', 'I(Q) Options')
self.setPropertyGroup('OutputBinning', 'I(Q) Options')
self.setPropertyGroup('NPixelDivision', 'I(Q) Options')
self.setPropertyGroup('NumberOfWedges', 'I(Q) Options')
self.setPropertyGroup('WedgeWorkspace', 'I(Q) Options')
self.setPropertyGroup('WedgeAngle', 'I(Q) Options')
self.setPropertyGroup('WedgeOffset', 'I(Q) Options')
self.setPropertyGroup('AsymmetricWedges', 'I(Q) Options')
self.declareProperty(name='MaxQxy',
defaultValue=-1.0,
validator=FloatBoundedValidator(lower=-1.0),
doc='Maximum of absolute Qx and Qy.')
self.setPropertySettings('MaxQxy', output_iqxy)
self.declareProperty(name='DeltaQ',
defaultValue=-1.0,
validator=FloatBoundedValidator(lower=-1.0),
doc='The dimension of a Qx-Qy cell.')
self.setPropertySettings('DeltaQ', output_iqxy)
self.declareProperty(
name='IQxQyLogBinning',
defaultValue=False,
doc='I(Qx, Qy) log binning when binning is not specified.')
self.setPropertySettings('IQxQyLogBinning', output_iqxy)
self.setPropertyGroup('MaxQxy', 'I(Qx,Qy) Options')
self.setPropertyGroup('DeltaQ', 'I(Qx,Qy) Options')
self.setPropertyGroup('IQxQyLogBinning', 'I(Qx,Qy) Options')
self.declareProperty(
WorkspaceGroupProperty('PanelOutputWorkspaces',
'',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc='The name of the output workspace group for detector panels.')
self.declareProperty(
ITableWorkspaceProperty('ShapeTable',
'',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc=
'The name of the table workspace containing drawn shapes on which to integrate. '
'If provided, NumberOfWedges, WedgeOffset and WedgeAngle arguments are ignored. '
)
self.setPropertyGroup('PanelOutputWorkspaces', 'I(Q) Options')
self.setPropertyGroup('ShapeTable', 'I(Q) Options')
lambda_range_validator = CompositeValidator()
lambda_range_validator.add(FloatArrayOrderedPairsValidator())
lambda_range_validator.add(FloatArrayLengthValidator(2))
self.declareProperty(
FloatArrayProperty('WavelengthRange', [1., 10.],
validator=lambda_range_validator),
doc=
'Wavelength range [Angstrom] to be used in integration (TOF only).'
)
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
nonnegativeInts = IntArrayBoundedValidator()
nonnegativeInts.setLower(0)
maxTwoNonnegativeInts = CompositeValidator()
maxTwoNonnegativeInts.add(IntArrayLengthValidator(lenmin=0, lenmax=2))
maxTwoNonnegativeInts.add(nonnegativeInts)
nonnegativeFloatArray = FloatArrayBoundedValidator()
nonnegativeFloatArray.setLower(0.)
stringArrayValidator = StringArrayLengthValidator()
stringArrayValidator.setLengthMin(1)
#======================== Main Properties ========================
self.declareProperty(
PropertyNames.POLARIZATION_OPTION, 'NonPolarized',
StringListValidator(['NonPolarized', 'Polarized']),
'Indicate whether measurements are polarized')
is_polarized = EnabledWhenProperty(PropertyNames.POLARIZATION_OPTION,
PropertyCriterion.IsEqualTo,
'Polarized')
is_not_polarized = EnabledWhenProperty(
PropertyNames.POLARIZATION_OPTION, PropertyCriterion.IsEqualTo,
'NonPolarized')
polarized = 'Inputs for polarized measurements'
self.declareProperty(MultipleFileProperty(
PropertyNames.RB,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of reflected run numbers/files.')
self.setPropertySettings(PropertyNames.RB, is_not_polarized)
self.declareProperty(
MultipleFileProperty(PropertyNames.RB00,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of reflected run numbers/files for 00.')
self.setPropertySettings(PropertyNames.RB00, is_polarized)
self.setPropertyGroup(PropertyNames.RB00, polarized)
self.declareProperty(
MultipleFileProperty(PropertyNames.RB01,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of reflected run numbers/files for 01.')
self.setPropertySettings(PropertyNames.RB01, is_polarized)
self.setPropertyGroup(PropertyNames.RB01, polarized)
self.declareProperty(
MultipleFileProperty(PropertyNames.RB10,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of reflected run numbers/files for 10.')
self.setPropertySettings(PropertyNames.RB10, is_polarized)
self.setPropertyGroup(PropertyNames.RB10, polarized)
self.declareProperty(
MultipleFileProperty(PropertyNames.RB11,
action=FileAction.OptionalLoad,
extensions=['nxs']),
doc='A list of reflected run numbers/files for 11.')
self.setPropertySettings(PropertyNames.RB11, is_polarized)
self.setPropertyGroup(PropertyNames.RB11, polarized)
self.declareProperty(
FileProperty(PropertyNames.EFFICIENCY_FILE,
defaultValue='',
action=FileAction.OptionalLoad),
doc='A file containing the polarization efficiency factors.')
self.setPropertySettings(PropertyNames.EFFICIENCY_FILE, is_polarized)
self.setPropertyGroup(PropertyNames.EFFICIENCY_FILE, polarized)
self.declareProperty(MultipleFileProperty(PropertyNames.DB,
action=FileAction.Load,
extensions=['nxs']),
doc='A list of direct run numbers/files.')
self.declareProperty(WorkspaceGroupProperty(
Prop.OUTPUT_WS, defaultValue='', direction=Direction.Output),
doc='The output workspace group.')
self.declareProperty(
PropertyNames.BKG_METHOD_DIRECT,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator(
[BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.'
)
self.declareProperty(
PropertyNames.BKG_METHOD,
defaultValue=BkgMethod.CONSTANT,
validator=StringListValidator(
[BkgMethod.CONSTANT, BkgMethod.LINEAR, BkgMethod.OFF]),
doc='Flat background calculation method for background subtraction.'
)
self.copyProperties('ReflectometryILLPreprocess', [
Prop.SUBALG_LOGGING, Prop.CLEANUP, Prop.WATER_REFERENCE,
Prop.SLIT_NORM, Prop.FLUX_NORM_METHOD
])
self.declareProperty(PropertyNames.SCALE_FACTOR,
defaultValue=1.0,
doc='Scale factor.')
self.declareProperty(
PropertyNames.USE_MANUAL_SCALE_FACTORS,
defaultValue=False,
doc='Choose to apply manual scale factors for stitching.')
self.declareProperty(
FloatArrayProperty(PropertyNames.MANUAL_SCALE_FACTORS, values=[]),
doc=
'A list of manual scale factors for stitching (number of anlge configurations minus 1)'
)
self.setPropertySettings(
PropertyNames.MANUAL_SCALE_FACTORS,
EnabledWhenProperty(PropertyNames.USE_MANUAL_SCALE_FACTORS,
PropertyCriterion.IsNotDefault))
self.declareProperty(
PropertyNames.CACHE_DIRECT_BEAM,
defaultValue=False,
doc=
'Cache the processed direct beam in ADS for ready use with further reflected beams;'
'saves important execution time, however assumes that the direct beam processing '
'configuration must be invariant for different reflected beams.')
# ======================== Common Properties ========================
commonProp = 'Preprocessing common properties: provide a list or a single value'
self.declareProperty(StringArrayProperty(
PropertyNames.ANGLE_OPTION,
values=[PropertyNames.DAN],
validator=stringArrayValidator,
direction=Direction.Input,
),
doc='Angle option used for detector positioning')
self.declareProperty(FloatArrayProperty(PropertyNames.THETA,
values=[-1.]),
doc='A user-defined angle theta in degree')
self.declareProperty(StringArrayProperty(
PropertyNames.SUM_TYPE,
values=[PropertyNames.INCOHERENT],
validator=stringArrayValidator,
direction=Direction.Input,
),
doc='Type of summation to perform')
self.declareProperty(FloatArrayProperty(
PropertyNames.WAVELENGTH_LOWER,
values=[0.],
validator=nonnegativeFloatArray),
doc='The lower wavelength bound (Angstrom)')
self.declareProperty(FloatArrayProperty(
PropertyNames.WAVELENGTH_UPPER,
values=[35.],
validator=nonnegativeFloatArray),
doc='The upper wavelength bound (Angstrom)')
self.declareProperty(
FloatArrayProperty(
PropertyNames.GROUPING_FRACTION,
values=[0.5],
validator=nonnegativeFloatArray,
),
doc=
'If set, group the output by steps of this fraction multiplied by Q resolution'
)
self.setPropertyGroup(PropertyNames.ANGLE_OPTION, commonProp)
self.setPropertyGroup(PropertyNames.THETA, commonProp)
self.setPropertyGroup(PropertyNames.SUM_TYPE, commonProp)
self.setPropertyGroup(PropertyNames.WAVELENGTH_LOWER, commonProp)
self.setPropertyGroup(PropertyNames.WAVELENGTH_UPPER, commonProp)
self.setPropertyGroup(PropertyNames.GROUPING_FRACTION, commonProp)
# ======================== Direct Run Properties ========================
preProcessDirect = 'Preprocessing for direct runs: provide a list or a single value'
self.declareProperty(
IntArrayProperty(PropertyNames.LOW_FRG_HALF_WIDTH_DIRECT,
values=[0],
validator=nonnegativeInts),
doc=
'Number of foreground pixels at lower angles from the centre pixel.'
)
self.setPropertyGroup(PropertyNames.LOW_FRG_HALF_WIDTH_DIRECT,
preProcessDirect)
self.declareProperty(
IntArrayProperty(
PropertyNames.LOW_BKG_OFFSET_DIRECT,
values=[7],
validator=nonnegativeInts,
),
doc=
'Distance of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.LOW_BKG_OFFSET_DIRECT,
preProcessDirect)
self.declareProperty(
IntArrayProperty(
PropertyNames.LOW_BKG_WIDTH_DIRECT,
values=[5],
validator=nonnegativeInts,
),
doc=
'Width of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.LOW_BKG_WIDTH_DIRECT,
preProcessDirect)
self.declareProperty(
IntArrayProperty(PropertyNames.HIGH_FRG_HALF_WIDTH_DIRECT,
values=[0],
validator=nonnegativeInts),
doc=
'Number of foreground pixels at higher angles from the centre pixel.'
)
self.setPropertyGroup(PropertyNames.HIGH_FRG_HALF_WIDTH_DIRECT,
preProcessDirect)
self.declareProperty(
IntArrayProperty(
PropertyNames.HIGH_BKG_OFFSET_DIRECT,
values=[7],
validator=nonnegativeInts,
),
doc=
'Distance of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.HIGH_BKG_OFFSET_DIRECT,
preProcessDirect)
self.declareProperty(
IntArrayProperty(
PropertyNames.HIGH_BKG_WIDTH_DIRECT,
values=[5],
validator=nonnegativeInts,
),
doc=
'Width of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.HIGH_BKG_WIDTH_DIRECT,
preProcessDirect)
self.declareProperty(IntArrayProperty(
PropertyNames.START_WS_INDEX_DIRECT,
values=[0],
validator=nonnegativeInts,
),
doc='Start histogram index used for peak fitting')
self.setPropertyGroup(PropertyNames.START_WS_INDEX_DIRECT,
preProcessDirect)
self.declareProperty(IntArrayProperty(
PropertyNames.END_WS_INDEX_DIRECT,
values=[255],
validator=nonnegativeInts,
),
doc='Last histogram index used for peak fitting')
self.setPropertyGroup(PropertyNames.END_WS_INDEX_DIRECT,
preProcessDirect)
self.declareProperty(
PropertyNames.XMIN_DIRECT,
defaultValue=-1.,
doc='Minimum x value (unit wavelength) used for peak fitting.')
self.setPropertyGroup(PropertyNames.XMIN_DIRECT, preProcessDirect)
self.declareProperty(
PropertyNames.XMAX_DIRECT,
defaultValue=-1.,
doc='Maximum x value (unit wavelength) used for peak fitting.')
self.setPropertyGroup(PropertyNames.XMAX_DIRECT, preProcessDirect)
# ======================== Preprocessing For Reflected Runs ========================
preProcessReflected = 'Preprocessing for reflected runs: provide a list or a single value'
self.declareProperty(
IntArrayProperty(
PropertyNames.LOW_FRG_HALF_WIDTH,
values=[0],
validator=nonnegativeInts,
),
doc=
'Number of foreground pixels at lower angles from the centre pixel.'
)
self.setPropertyGroup(PropertyNames.LOW_FRG_HALF_WIDTH,
preProcessReflected)
self.declareProperty(
IntArrayProperty(
PropertyNames.LOW_BKG_OFFSET,
values=[7],
validator=nonnegativeInts,
),
doc=
'Distance of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels.')
self.setPropertyGroup(PropertyNames.LOW_BKG_OFFSET,
preProcessReflected)
self.declareProperty(
IntArrayProperty(
PropertyNames.LOW_BKG_WIDTH,
values=[5],
validator=nonnegativeInts,
),
doc=
'Width of flat background region towards smaller detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.LOW_BKG_WIDTH, preProcessReflected)
self.declareProperty(
IntArrayProperty(
PropertyNames.HIGH_FRG_HALF_WIDTH,
values=[0],
validator=nonnegativeInts,
),
doc=
'Number of foreground pixels at higher angles from the centre pixel.'
)
self.setPropertyGroup(PropertyNames.HIGH_FRG_HALF_WIDTH,
preProcessReflected)
self.declareProperty(
IntArrayProperty(
PropertyNames.HIGH_BKG_OFFSET,
values=[7],
validator=nonnegativeInts,
),
doc=
'Distance of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels')
self.setPropertyGroup(PropertyNames.HIGH_BKG_OFFSET,
preProcessReflected)
self.declareProperty(
IntArrayProperty(
PropertyNames.HIGH_BKG_WIDTH,
values=[5],
validator=nonnegativeInts,
),
doc=
'Width of flat background region towards larger detector angles from the '
+ 'foreground centre, in pixels.')
self.setPropertyGroup(PropertyNames.HIGH_BKG_WIDTH,
preProcessReflected)
self.declareProperty(IntArrayProperty(
PropertyNames.START_WS_INDEX,
values=[0],
validator=nonnegativeInts,
),
doc='Start histogram index used for peak fitting')
self.setPropertyGroup(PropertyNames.START_WS_INDEX,
preProcessReflected)
self.declareProperty(IntArrayProperty(
PropertyNames.END_WS_INDEX,
values=[255],
validator=nonnegativeInts,
),
doc='Last histogram index used for peak fitting')
self.setPropertyGroup(PropertyNames.END_WS_INDEX, preProcessReflected)
self.declareProperty(
FloatArrayProperty(PropertyNames.XMIN, values=[-1.]),
doc='Minimum x value (unit wavelength) used for peak fitting')
self.setPropertyGroup(PropertyNames.XMIN, preProcessReflected)
self.declareProperty(
FloatArrayProperty(PropertyNames.XMAX, values=[-1.]),
doc='Maximum x value (unit wavelength) used for peak fitting')
self.setPropertyGroup(PropertyNames.XMAX, preProcessReflected)
