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='Input workspace.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The output corrections 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(
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 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(lower=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=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(
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):
"""Initialize the algorithm's input and output properties."""
PROPGROUP_REBINNING = 'Rebinning for SofQW'
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
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=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, 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_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)
positiveIntArray = IntArrayBoundedValidator()
positiveIntArray.setLower(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=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_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):
#
# Reference and input data
self.declareProperty(ITableWorkspaceProperty(
"PeakCentersTofTable",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="Table of found peak centers, in TOF units")
self.declareProperty(
FloatArrayProperty("PeakPositions",
values=[],
direction=Direction.Input),
doc=
"Comma separated list of reference peak center d-spacings, sorted by increasing value."
)
properties = ["PeakCentersTofTable", "PeakPositions"]
[
self.setPropertyGroup(name, 'Reference and Input Data')
for name in properties
]
#
# Output Tables
self.declareProperty(
"AdjustmentsTable",
"",
direction=Direction.Input,
doc=
"Name of output table containing optimized locations and orientations for each component"
)
self.declareProperty(
"DisplacementsTable",
"",
direction=Direction.Input,
doc=
"Name of output table containing changes in position and euler angles for each bank component"
)
properties = ["AdjustmentsTable", "DisplacementsTable"]
[self.setPropertyGroup(name, 'Output Tables') for name in properties]
#
# Selection of the instrument and mask
self.declareProperty(MatrixWorkspaceProperty(
"MaskWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Input),
doc="Mask workspace")
self.declareProperty(FileProperty(name="InstrumentFilename",
defaultValue="",
action=FileAction.OptionalLoad,
extensions=[".xml"]),
doc="Instrument filename")
self.declareProperty(
WorkspaceProperty("InputWorkspace",
"",
validator=InstrumentValidator(),
optional=PropertyMode.Optional,
direction=Direction.Input),
doc="Workspace containing the instrument to be calibrated")
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output),
doc='Workspace containing the calibrated instrument')
properties = [
'MaskWorkspace', "InstrumentFilename", "InputWorkspace",
"OutputWorkspace"
]
[
self.setPropertyGroup(name, 'Instrument Options')
for name in properties
]
#
# Components
self.declareProperty(
name="FitSourcePosition",
defaultValue=False,
doc=
"Fit the source position, changes L1 (source to sample) distance. "
"Uses entire instrument. Occurs before Components are Aligned.")
self.declareProperty(
name="FitSamplePosition",
defaultValue=False,
doc=
"Fit the sample position, changes L1 (source to sample) and L2 (sample to detector) distance."
"Uses entire instrument. Occurs before Components are Aligned.")
self.declareProperty(
StringArrayProperty("ComponentList", direction=Direction.Input),
doc="Comma separated list on instrument components to refine.")
properties = [
"FitSourcePosition", "FitSamplePosition", "ComponentList"
]
[
self.setPropertyGroup(name, 'Declaration of Components')
for name in properties
]
#
# Translation Properties
# X position
self.declareProperty(
name="Xposition",
defaultValue=False,
doc="Refine Xposition of source and/or sample and/or components")
condition = EnabledWhenProperty("Xposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinXposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative X bound (m)")
self.setPropertySettings("MinXposition", condition)
self.declareProperty(name="MaxXposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative X bound (m)")
self.setPropertySettings("MaxXposition", condition)
self.declareProperty(
name="Yposition",
defaultValue=False,
doc="Refine Yposition of source and/or sample and/or components")
condition = EnabledWhenProperty("Yposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinYposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative Y bound (m)")
self.setPropertySettings("MinYposition", condition)
self.declareProperty(name="MaxYposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative Y bound (m)")
self.setPropertySettings("MaxYposition", condition)
# Z position
self.declareProperty(
name="Zposition",
defaultValue=False,
doc="Refine Zposition of source and/or sample and/or components")
condition = EnabledWhenProperty("Zposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinZposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative Z bound (m)")
self.setPropertySettings("MinZposition", condition)
self.declareProperty(name="MaxZposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative Z bound (m)")
self.setPropertySettings("MaxZposition", condition)
properties = [
"Xposition", "MinXposition", "MaxXposition", "Yposition",
"MinYposition", "MaxYposition", "Zposition", "MinZposition",
"MaxZposition"
]
[self.setPropertyGroup(name, "Translation") for name in properties]
#
# Rotation Properties
eulerConventions = [
"ZXZ", "XYX", "YZY", "ZYZ", "XZX", "YXY", "XYZ", "YZX", "ZXY",
"XZY", "ZYX", "YXZ"
]
self.declareProperty(
name="EulerConvention",
defaultValue="YZX",
validator=StringListValidator(eulerConventions),
doc=
"Euler angles convention used when calculating and displaying angles,"
"eg XYZ corresponding to alpha beta gamma.")
# alpha rotation
self.declareProperty(
name="AlphaRotation",
defaultValue=False,
doc="Refine rotation around first axis, alpha, for the components")
condition = EnabledWhenProperty("AlphaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinAlphaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative alpha rotation (deg)")
self.setPropertySettings("MinAlphaRotation", condition)
self.declareProperty(name="MaxAlphaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative alpha rotation (deg)")
self.setPropertySettings("MaxAlphaRotation", condition)
# beta rotation
self.declareProperty(
name="BetaRotation",
defaultValue=False,
doc="Refine rotation around seconds axis, beta, for the components"
)
condition = EnabledWhenProperty("BetaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinBetaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative beta rotation (deg)")
self.setPropertySettings("MinBetaRotation", condition)
self.declareProperty(name="MaxBetaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative beta rotation (deg)")
self.setPropertySettings("MaxBetaRotation", condition)
# gamma rotation
self.declareProperty(
name="GammaRotation",
defaultValue=False,
doc="Refine rotation around third axis, gamma, for the components")
condition = EnabledWhenProperty("GammaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinGammaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative gamma rotation (deg)")
self.setPropertySettings("MinGammaRotation", condition)
self.declareProperty(name="MaxGammaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative gamma rotation (deg)")
self.setPropertySettings("MaxGammaRotation", condition)
properties = [
"EulerConvention", "AlphaRotation", "MinAlphaRotation",
"MaxAlphaRotation", "BetaRotation", "MinBetaRotation",
"MaxBetaRotation", "GammaRotation", "MinGammaRotation",
"MaxGammaRotation"
]
[self.setPropertyGroup(name, "Rotation") for name in properties]
#
# Minimization Properties
self.declareProperty(name='Minimizer',
defaultValue='L-BFGS-B',
direction=Direction.Input,
validator=StringListValidator(
['L-BFGS-B', 'differential_evolution']),
doc='Minimizer to Use')
self.declareProperty(
name='MaxIterations',
defaultValue=100,
direction=Direction.Input,
doc=
'Maximum number of iterations for minimizer differential_evolution'
)
properties = ['Minimizer', 'MaxIterations']
[self.setPropertyGroup(name, "Minimization") for name in properties]
def PyInit(self):
self.declareProperty(ITableWorkspaceProperty(
"CalibrationTable",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="Calibration table, currently only uses difc")
self.declareProperty(MatrixWorkspaceProperty(
"MaskWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Input),
doc="Mask workspace")
self.declareProperty(FileProperty(name="InstrumentFilename",
defaultValue="",
action=FileAction.OptionalLoad,
extensions=[".xml"]),
doc="Instrument filename")
self.declareProperty(
WorkspaceProperty("Workspace",
"",
validator=InstrumentValidator(),
optional=PropertyMode.Optional,
direction=Direction.Input),
doc="Workspace containing the instrument to be calibrated.")
# Source
self.declareProperty(
name="FitSourcePosition",
defaultValue=False,
doc=
"Fit the source position, changes L1 (source to sample) distance."
"Uses entire instrument. Occurs before Components are Aligned.")
# Sample
self.declareProperty(
name="FitSamplePosition",
defaultValue=False,
doc=
"Fit the sample position, changes L1 (source to sample) and L2 (sample to detector) distance."
"Uses entire instrument. Occurs before Components are Aligned.")
# List of components
self.declareProperty(
StringArrayProperty("ComponentList", direction=Direction.Input),
doc="Comma separated list on instrument components to refine.")
# X position
self.declareProperty(name="Xposition",
defaultValue=False,
doc="Refine Xposition")
condition = EnabledWhenProperty("Xposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinXposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative X bound (m)")
self.setPropertySettings("MinXposition", condition)
self.declareProperty(name="MaxXposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative X bound (m)")
self.setPropertySettings("MaxXposition", condition)
# Y position
self.declareProperty(name="Yposition",
defaultValue=False,
doc="Refine Yposition")
condition = EnabledWhenProperty("Yposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinYposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative Y bound (m)")
self.setPropertySettings("MinYposition", condition)
self.declareProperty(name="MaxYposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative Y bound (m)")
self.setPropertySettings("MaxYposition", condition)
# Z position
self.declareProperty(name="Zposition",
defaultValue=False,
doc="Refine Zposition")
condition = EnabledWhenProperty("Zposition",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinZposition",
defaultValue=-0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Minimum relative Z bound (m)")
self.setPropertySettings("MinZposition", condition)
self.declareProperty(name="MaxZposition",
defaultValue=0.1,
validator=FloatBoundedValidator(-10.0, 10.0),
doc="Maximum relative Z bound (m)")
self.setPropertySettings("MaxZposition", condition)
# euler angles convention
eulerConventions = [
"ZXZ", "XYX", "YZY", "ZYZ", "XZX", "YXY", "XYZ", "YZX", "ZXY",
"XZY", "ZYX", "YXZ"
]
self.declareProperty(
name="EulerConvention",
defaultValue="YZX",
validator=StringListValidator(eulerConventions),
doc=
"Euler angles convention used when calculating and displaying angles,"
"eg XYZ corresponding to alpha beta gamma.")
# alpha rotation
self.declareProperty(name="AlphaRotation",
defaultValue=False,
doc="Refine rotation around first axis, alpha")
condition = EnabledWhenProperty("AlphaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinAlphaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative alpha rotation (deg)")
self.setPropertySettings("MinAlphaRotation", condition)
self.declareProperty(name="MaxAlphaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative alpha rotation (deg)")
self.setPropertySettings("MaxAlphaRotation", condition)
# beta rotation
self.declareProperty(name="BetaRotation",
defaultValue=False,
doc="Refine rotation around seconds axis, beta")
condition = EnabledWhenProperty("BetaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinBetaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative beta rotation (deg)")
self.setPropertySettings("MinBetaRotation", condition)
self.declareProperty(name="MaxBetaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative beta rotation (deg)")
self.setPropertySettings("MaxBetaRotation", condition)
# gamma rotation
self.declareProperty(name="GammaRotation",
defaultValue=False,
doc="Refine rotation around third axis, gamma")
condition = EnabledWhenProperty("GammaRotation",
PropertyCriterion.IsNotDefault)
self.declareProperty(name="MinGammaRotation",
defaultValue=-10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Minimum relative gamma rotation (deg)")
self.setPropertySettings("MinGammaRotation", condition)
self.declareProperty(name="MaxGammaRotation",
defaultValue=10.0,
validator=FloatBoundedValidator(-90, 90),
doc="Maximum relative gamma rotation (deg)")
self.setPropertySettings("MaxGammaRotation", condition)
# Translation
self.setPropertyGroup("Xposition", "Translation")
self.setPropertyGroup("MinXposition", "Translation")
self.setPropertyGroup("MaxXposition", "Translation")
self.setPropertyGroup("Yposition", "Translation")
self.setPropertyGroup("MinYposition", "Translation")
self.setPropertyGroup("MaxYposition", "Translation")
self.setPropertyGroup("Zposition", "Translation")
self.setPropertyGroup("MinZposition", "Translation")
self.setPropertyGroup("MaxZposition", "Translation")
# Rotation
self.setPropertyGroup("EulerConvention", "Rotation")
self.setPropertyGroup("AlphaRotation", "Rotation")
self.setPropertyGroup("MinAlphaRotation", "Rotation")
self.setPropertyGroup("MaxAlphaRotation", "Rotation")
self.setPropertyGroup("BetaRotation", "Rotation")
self.setPropertyGroup("MinBetaRotation", "Rotation")
self.setPropertyGroup("MaxBetaRotation", "Rotation")
self.setPropertyGroup("GammaRotation", "Rotation")
self.setPropertyGroup("MinGammaRotation", "Rotation")
self.setPropertyGroup("MaxGammaRotation", "Rotation")
def PyInit(self):
ws_validator = InstrumentValidator()
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace', '',
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Sample workspace.")
self.declareProperty(name='SampleChemicalFormula', defaultValue='',
doc='Sample chemical formula')
self.declareProperty(name='SampleCoherentXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The coherent cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='SampleIncoherentXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The incoherent cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='SampleAttenuationXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The absorption cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='SampleDensityType', defaultValue='Mass Density',
validator=StringListValidator(['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density for the sample.')
self.declareProperty(name='SampleNumberDensityUnit', defaultValue='Atoms',
validator=StringListValidator(['Atoms', 'Formula Units']),
doc='Choose which units SampleDensity refers to. Allowed values: [Atoms, Formula Units]')
self.declareProperty(name='SampleDensity', defaultValue=0.1,
doc='The value for the sample Mass density (g/cm^3) or Number density (1/Angstrom^3).')
self.declareProperty(name='SampleInnerRadius', defaultValue=0.05,
validator=FloatBoundedValidator(0.0),
doc='Sample inner radius')
self.declareProperty(name='SampleOuterRadius', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample outer radius')
self.declareProperty(MatrixWorkspaceProperty('CanWorkspace', '',
optional=PropertyMode.Optional,
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Can workspace.")
self.declareProperty(name='CanChemicalFormula', defaultValue='',
doc='Can chemical formula')
self.declareProperty(name='CanCoherentXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The coherent cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='CanIncoherentXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The incoherent cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='CanAttenuationXSection', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='The absorption cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(name='CanDensityType', defaultValue='Mass Density',
validator=StringListValidator(['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density for the can.')
self.declareProperty(name='CanNumberDensityUnit', defaultValue='Atoms',
validator=StringListValidator(['Atoms', 'Formula Units']),
doc='Choose which units CanDensity refers to. Allowed values: [Atoms, Formula Units]')
self.declareProperty(name='CanDensity', defaultValue=0.1,
doc='The value for the can Mass density (g/cm^3) or Number density (1/Angstrom^3).')
self.declareProperty(name='CanOuterRadius', defaultValue=0.15,
validator=FloatBoundedValidator(0.0),
doc='Can outer radius')
self.declareProperty(name='BeamHeight', defaultValue=3.0,
validator=FloatBoundedValidator(0.0),
doc='Beam height')
self.declareProperty(name='BeamWidth', defaultValue=2.0,
validator=FloatBoundedValidator(0.0),
doc='Beam width')
self.declareProperty(name='StepSize', defaultValue=0.002,
validator=FloatBoundedValidator(0.0),
doc='Step size')
self.declareProperty(name='Interpolate', defaultValue=True,
doc='Interpolate the correction workspaces to match the sample workspace')
self.declareProperty(name='NumberWavelengths', defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(name='Emode', defaultValue='Elastic',
validator=StringListValidator(['Elastic', 'Indirect', 'Direct', 'Efixed']),
doc='Energy transfer mode.')
self.declareProperty(name='Efixed', defaultValue=0.,
doc='Analyser energy (mev). By default will be read from the instrument parameters. '
'Specify manually to override. This is used in energy transfer modes other than Elastic.')
self.declareProperty(WorkspaceGroupProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='The output corrections workspace group')
def PyInit(self):
ws_validator = InstrumentValidator()
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace',
'',
direction=Direction.Input,
validator=ws_validator),
doc='Name for the input sample workspace')
self.declareProperty(name='SampleChemicalFormula',
defaultValue='',
doc='Sample chemical formula')
self.declareProperty(
name='SampleCoherentXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The coherent cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='SampleIncoherentXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The incoherent cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='SampleAttenuationXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The absorption cross-section for the sample material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='SampleDensityType',
defaultValue='Mass Density',
validator=StringListValidator(['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density for the sample.')
self.declareProperty(
name='SampleNumberDensityUnit',
defaultValue='Atoms',
validator=StringListValidator(['Atoms', 'Formula Units']),
doc='Choose which units SampleDensity refers to. Allowed values: '
'[Atoms, Formula Units]')
self.declareProperty(
name='SampleDensity',
defaultValue=0.1,
doc=
'The value for the sample Mass density (g/cm^3) or Number density (1/Angstrom^3).'
)
self.declareProperty(name='SampleThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Sample thickness in cm')
self.declareProperty(
name='SampleAngle',
defaultValue=0.0,
doc='Angle between incident beam and normal to flat plate surface')
self.declareProperty(MatrixWorkspaceProperty(
'CanWorkspace',
'',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=ws_validator),
doc="Name for the input container workspace")
self.declareProperty(name='CanChemicalFormula',
defaultValue='',
doc='Container chemical formula')
self.declareProperty(
name='CanCoherentXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The coherent cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='CanIncoherentXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The incoherent cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='CanAttenuationXSection',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc=
'The absorption cross-section for the can material in barns. To be used instead of '
'Chemical Formula.')
self.declareProperty(
name='CanDensityType',
defaultValue='Mass Density',
validator=StringListValidator(['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density for the can.')
self.declareProperty(
name='CanNumberDensityUnit',
defaultValue='Atoms',
validator=StringListValidator(['Atoms', 'Formula Units']),
doc=
'Choose which units CanDensity refers to. Allowed values: [Atoms, Formula Units]'
)
self.declareProperty(
name='CanDensity',
defaultValue=0.1,
doc=
'The value for the can Mass density (g/cm^3) or Number density (1/Angstrom^3).'
)
self.declareProperty(name='CanFrontThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Container front thickness in cm')
self.declareProperty(name='CanBackThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Container back thickness in cm')
self.declareProperty(name='NumberWavelengths',
defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(
name='Interpolate',
defaultValue=True,
doc=
'Interpolate the correction workspaces to match the sample workspace'
)
self.declareProperty(name='Emode',
defaultValue='Elastic',
validator=StringListValidator(
['Elastic', 'Indirect', 'Direct', 'Efixed']),
doc='Energy transfer mode.')
self.declareProperty(
name='Efixed',
defaultValue=0.,
doc=
'Analyser energy (mev). By default will be read from the instrument parameters. '
'Specify manually to override. This is used only in Efixed energy transfer mode.'
)
self.declareProperty(WorkspaceGroupProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output corrections workspace group')
def PyInit(self):
ws_validator = CompositeValidator(
[WorkspaceUnitValidator('Wavelength'),
InstrumentValidator()])
self.declareProperty(MatrixWorkspaceProperty(
'SampleWorkspace',
'',
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Sample workspace.")
self.declareProperty(name='SampleChemicalFormula',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample chemical formula')
self.declareProperty(name='SampleNumberDensity',
defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample number density')
self.declareProperty(name='SampleInnerRadius',
defaultValue=0.05,
validator=FloatBoundedValidator(0.0),
doc='Sample inner radius')
self.declareProperty(name='SampleOuterRadius',
defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample outer radius')
self.declareProperty(MatrixWorkspaceProperty(
'CanWorkspace',
'',
optional=PropertyMode.Optional,
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Can workspace.")
self.declareProperty(name='CanChemicalFormula',
defaultValue='',
doc='Can chemical formula')
self.declareProperty(name='CanNumberDensity',
defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Can number density')
self.declareProperty(name='CanOuterRadius',
defaultValue=0.15,
validator=FloatBoundedValidator(0.0),
doc='Can outer radius')
self.declareProperty(name='BeamHeight',
defaultValue=3.0,
validator=FloatBoundedValidator(0.0),
doc='Beam height')
self.declareProperty(name='BeamWidth',
defaultValue=2.0,
validator=FloatBoundedValidator(0.0),
doc='Beam width')
self.declareProperty(name='StepSize',
defaultValue=0.002,
validator=FloatBoundedValidator(0.0),
doc='Step size')
self.declareProperty(
name='Interpolate',
defaultValue=True,
doc=
'Interpolate the correction workspaces to match the sample workspace'
)
self.declareProperty(name='NumberWavelengths',
defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(name='Emode',
defaultValue='Elastic',
validator=StringListValidator(
['Elastic', 'Indirect']),
doc='Emode: Elastic or Indirect')
self.declareProperty(name='Efixed',
defaultValue=1.0,
doc='Analyser energy')
self.declareProperty(WorkspaceGroupProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output corrections workspace group')
def PyInit(self):
ws_validator = InstrumentValidator()
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace',
'',
direction=Direction.Input,
validator=ws_validator),
doc='Name for the input sample workspace')
self.declareProperty(name='SampleChemicalFormula',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample chemical formula')
self.declareProperty(name='SampleDensityType',
defaultValue='Mass Density',
validator=StringListValidator(
['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density')
self.declareProperty(
name='SampleDensity',
defaultValue=0.1,
doc='Mass density (g/cm^3) or Number density (atoms/Angstrom^3)')
self.declareProperty(name='SampleThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Sample thickness in cm')
self.declareProperty(
name='SampleAngle',
defaultValue=0.0,
doc='Angle between incident beam and normal to flat plate surface')
self.declareProperty(MatrixWorkspaceProperty(
'CanWorkspace',
'',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=ws_validator),
doc="Name for the input container workspace")
self.declareProperty(name='CanChemicalFormula',
defaultValue='',
doc='Container chemical formula')
self.declareProperty(name='CanDensityType',
defaultValue='Mass Density',
validator=StringListValidator(
['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density')
self.declareProperty(
name='CanDensity',
defaultValue=0.1,
doc='Mass density (g/cm^3) or Number density (atoms/Angstrom^3)')
self.declareProperty(name='CanFrontThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Container front thickness in cm')
self.declareProperty(name='CanBackThickness',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Container back thickness in cm')
self.declareProperty(name='NumberWavelengths',
defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(
name='Interpolate',
defaultValue=True,
doc=
'Interpolate the correction workspaces to match the sample workspace'
)
self.declareProperty(name='Emode',
defaultValue='Elastic',
validator=StringListValidator(
['Elastic', 'Indirect', 'Direct', 'Efixed']),
doc='Energy transfer mode.')
self.declareProperty(
name='Efixed',
defaultValue=0.,
doc=
'Analyser energy (mev). By default will be read from the instrument parameters. '
'Specify manually to override. This is used only in Efixed energy transfer mode.'
)
self.declareProperty(WorkspaceGroupProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output corrections workspace group')
def PyInit(self):
ws_validator = InstrumentValidator()
self.declareProperty(MatrixWorkspaceProperty(
'SampleWorkspace',
'',
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Sample workspace.")
self.declareProperty(name='SampleChemicalFormula',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample chemical formula')
self.declareProperty(name='SampleDensityType',
defaultValue='Mass Density',
validator=StringListValidator(
['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density')
self.declareProperty(
name='SampleDensity',
defaultValue=0.1,
doc='Mass density (g/cm^3) or Number density (atoms/Angstrom^3)')
self.declareProperty(name='SampleInnerRadius',
defaultValue=0.05,
validator=FloatBoundedValidator(0.0),
doc='Sample inner radius')
self.declareProperty(name='SampleOuterRadius',
defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample outer radius')
self.declareProperty(MatrixWorkspaceProperty(
'CanWorkspace',
'',
optional=PropertyMode.Optional,
validator=ws_validator,
direction=Direction.Input),
doc="Name for the input Can workspace.")
self.declareProperty(name='CanChemicalFormula',
defaultValue='',
doc='Can chemical formula')
self.declareProperty(name='CanDensityType',
defaultValue='Mass Density',
validator=StringListValidator(
['Mass Density', 'Number Density']),
doc='Use of Mass density or Number density')
self.declareProperty(
name='CanDensity',
defaultValue=0.1,
doc='Mass density (g/cm^3) or Number density (atoms/Angstrom^3)')
self.declareProperty(name='CanOuterRadius',
defaultValue=0.15,
validator=FloatBoundedValidator(0.0),
doc='Can outer radius')
self.declareProperty(name='BeamHeight',
defaultValue=3.0,
validator=FloatBoundedValidator(0.0),
doc='Beam height')
self.declareProperty(name='BeamWidth',
defaultValue=2.0,
validator=FloatBoundedValidator(0.0),
doc='Beam width')
self.declareProperty(name='StepSize',
defaultValue=0.002,
validator=FloatBoundedValidator(0.0),
doc='Step size')
self.declareProperty(
name='Interpolate',
defaultValue=True,
doc=
'Interpolate the correction workspaces to match the sample workspace'
)
self.declareProperty(name='NumberWavelengths',
defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(name='Emode',
defaultValue='Elastic',
validator=StringListValidator(
['Elastic', 'Indirect', 'Direct', 'Efixed']),
doc='Energy transfer mode.')
self.declareProperty(
name='Efixed',
defaultValue=0.,
doc=
'Analyser energy (mev). By default will be read from the instrument parameters. '
'Specify manually to override. This is used in energy transfer modes other than Elastic.'
)
self.declareProperty(WorkspaceGroupProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output corrections workspace group')