def PyInit(self):
self.declareProperty(IMDEventWorkspaceProperty("InputWorkspace", defaultValue="",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="Input MDEvent workspace to convert to a MDHisto in HKL")
self.declareProperty(IPeaksWorkspaceProperty("PeaksWorkspace", defaultValue="", optional=PropertyMode.Optional,
direction=Direction.Input),
doc="Optional peaks workspace to retrieve the UB matrix from, instead of InputWorkspace.")
self.declareProperty(FloatArrayProperty("Uproj", [1, 0, 0], validator=FloatArrayLengthValidator(3),
direction=Direction.Input),
doc="Defines the first projection vector of the target Q coordinate system in HKL mode")
self.declareProperty(FloatArrayProperty("Vproj", [0, 1, 0], validator=FloatArrayLengthValidator(3),
direction=Direction.Input),
doc="Defines the second projection vector of the target Q coordinate system in HKL mode")
self.declareProperty(FloatArrayProperty("Wproj", [0, 0, 1], validator=FloatArrayLengthValidator(3),
direction=Direction.Input),
doc="Defines the third projection vector of the target Q coordinate system in HKL mode")
self.declareProperty(FloatArrayProperty("Extents", [-6.02, 6.02, -6.02, 6.02, -6.02, 6.02],
direction=Direction.Input),
"Binning parameters for each dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,'.")
self.declareProperty(IntArrayProperty("Bins", [301, 301, 301],
direction=Direction.Input),
"Number of bins to use for each dimension, Enter it as a"
"comma-separated list of integers.")
self.declareProperty(IMDHistoWorkspaceProperty("OutputWorkspace", "",
optional=PropertyMode.Mandatory,
direction=Direction.Output),
doc="Output MDWorkspace in Q-space, name is prefix if multiple input files were provided.")
def PyInit(self):
# Input workspace/data info (filename or IPTS+RunNumber)
# Priority: Filename > IPTS + RunNumber
self.declareProperty(
MultipleFileProperty(name="Filename",
action=FileAction.OptionalLoad,
extensions=[".nxs.h5"]), "Files to load")
self.declareProperty('IPTS', Property.EMPTY_INT,
"IPTS number to load from")
self.declareProperty(IntArrayProperty("RunNumbers", []),
'Run numbers to load')
# Normalization info (optional, skip normalization if not specified)
# Priority: IPTS + RunNumber > Filename > NormalizationFile
# NOTE:
# The current convention for loading Vanadium data is by IPTS+RunNumber, so this is the default\
# -- default
self.declareProperty('VanadiumIPTS', Property.EMPTY_INT,
"IPTS number to load Vanadium normalization")
self.declareProperty('VanadiumRunNumber', Property.EMPTY_INT,
"Run number to load Vanadium normalization")
# -- alternative
self.declareProperty(FileProperty(name="VanadiumFile",
defaultValue="",
extensions=[".nxs"],
direction=Direction.Input,
action=FileAction.OptionalLoad),
doc="File with Vanadium normalization scan data")
# alternative
self.declareProperty(
IMDHistoWorkspaceProperty("VanadiumWorkspace",
defaultValue="",
direction=Direction.Input,
optional=PropertyMode.Optional),
doc="MDHisto workspace containing vanadium normalization data")
# normalization method
self.declareProperty(
"NormalizedBy", 'None',
StringListValidator(['None', 'Counts', 'Monitor', 'Time']),
"Normalize to Counts, Monitor, Time.")
# group normalization properties
self.setPropertyGroup('VanadiumIPTS', 'Normalization')
self.setPropertyGroup('VanadiumRunNumber', 'Normalization')
self.setPropertyGroup('VanadiumFile', 'Normalization')
self.setPropertyGroup('VanadiumWorkspace', 'Normalization')
self.setPropertyGroup('NormalizedBy', 'Normalization')
# Grouping info
self.declareProperty(
"Grouping", 'None', StringListValidator(['None', '2x2', '4x4']),
"Group pixels (shared by input and normalization)")
# Output workspace/data info
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output), "Output Workspace")
def PyInit(self):
self.declareProperty(
IMDHistoWorkspaceProperty("InputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
"Input Workspace with HKL dimensions centered on zero.")
self.declareProperty(
WorkspaceProperty("IntermediateWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Output),
"The resulting workspace after reflection removal and filters applied. What is the input of the FFT."
)
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output), "Output Workspace")
self.declareProperty(
"Method", 'KAREN',
StringListValidator(['None', 'Punch and fill', 'KAREN']),
"Bragg peak removal method")
self.declareProperty(
"WindowFunction", 'Blackman',
StringListValidator(
['None', 'Gaussian', 'Blackman', 'Tukey', 'Kaiser']),
"Apply a window function to the data")
self.declareProperty(
"WindowParameter",
defaultValue=0.5,
validator=FloatBoundedValidator(0.),
doc=
"Parameter for window function, depends on window type, see algorithm docs"
)
# Punch and fill
condition = EnabledWhenProperty("Method", PropertyCriterion.IsEqualTo,
'Punch and fill')
self.declareProperty("Shape",
"sphere",
doc="Shape to punch out reflections",
validator=StringListValidator(['sphere', 'cube']))
self.setPropertySettings("Shape", condition)
val_min_zero = FloatArrayBoundedValidator(lower=0.)
self.declareProperty(
FloatArrayProperty("Size", [0.2], validator=val_min_zero),
"Width of cube/diameter of sphere used to remove reflections, in (HKL) (one or three values)"
)
self.setPropertySettings("Size", condition)
self.declareProperty(
"SpaceGroup",
"",
doc=
"Space group for reflection removal, either full name or number. If empty all HKL's will be removed."
)
self.setPropertySettings("SpaceGroup", condition)
self.declareProperty(
"Convolution", True,
"Apply convolution to fill in removed reflections")
self.setPropertySettings("Convolution", condition)
self.declareProperty("ConvolutionWidth",
2.0,
validator=FloatBoundedValidator(0.),
doc="Width of gaussian convolution in pixels")
self.setPropertySettings("ConvolutionWidth", condition)
self.declareProperty(
"CropSphere", False,
"Limit min/max q values. Can help with edge effects.")
condition = EnabledWhenProperty("CropSphere",
PropertyCriterion.IsNotDefault)
self.declareProperty(
FloatArrayProperty("SphereMin", [Property.EMPTY_DBL],
validator=val_min_zero),
"HKL values below which will be removed (one or three values)")
self.setPropertySettings("SphereMin", condition)
self.declareProperty(
FloatArrayProperty("SphereMax", [Property.EMPTY_DBL],
validator=val_min_zero),
"HKL values above which will be removed (one or three values)")
self.setPropertySettings("SphereMax", condition)
self.declareProperty("FillValue", Property.EMPTY_DBL,
"Value to replace with outside sphere")
self.setPropertySettings("FillValue", condition)
# KAREN
self.declareProperty("KARENWidth", 7, "Size of filter window")
# Reflections
self.setPropertyGroup("Shape", "Punch and fill")
self.setPropertyGroup("Size", "Punch and fill")
self.setPropertyGroup("SpaceGroup", "Punch and fill")
# Sphere
self.setPropertyGroup("CropSphere", "Cropping to a sphere")
self.setPropertyGroup("SphereMin", "Cropping to a sphere")
self.setPropertyGroup("SphereMax", "Cropping to a sphere")
self.setPropertyGroup("FillValue", "Cropping to a sphere")
# Convolution
self.setPropertyGroup("Convolution", "Convolution")
self.setPropertyGroup("ConvolutionWidth", "Convolution")
def PyInit(self):
self.declareProperty(
IMDHistoWorkspaceProperty("InputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
"Input Workspace")
self.declareProperty(
IMDHistoWorkspaceProperty("NormalisationWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Input),
"Workspace to use for normalisation")
self.declareProperty(
WorkspaceProperty("UBWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Input),
"Workspace containing the UB matrix to use")
self.declareProperty("Wavelength",
1.488,
validator=FloatBoundedValidator(0.0),
doc="Wavelength to set the workspace")
self.declareProperty(
"S1Offset",
0.,
doc="Offset to apply (in degrees) to the s1 of the input workspace"
)
self.declareProperty('NormaliseBy', 'Monitor',
StringListValidator(['None', 'Time', 'Monitor']),
"Normalise to monitor, time or None.")
self.declareProperty('Frame', 'Q_sample',
StringListValidator(['Q_sample', 'HKL']),
"Selects Q-dimensions of the output workspace")
self.declareProperty(
FloatArrayProperty("Uproj", [1, 0, 0],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Defines the first projection vector of the target Q coordinate system in HKL mode"
)
self.declareProperty(
FloatArrayProperty("Vproj", [0, 1, 0],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Defines the second projection vector of the target Q coordinate system in HKL mode"
)
self.declareProperty(
FloatArrayProperty("Wproj", [0, 0, 1],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Defines the third projection vector of the target Q coordinate system in HKL mode"
)
self.declareProperty(
FloatArrayProperty("BinningDim0", [-8.02, 8.02, 401],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 0th dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.declareProperty(
FloatArrayProperty("BinningDim1", [-0.82, 0.82, 41],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 1st dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.declareProperty(
FloatArrayProperty("BinningDim2", [-8.02, 8.02, 401],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 2nd dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.declareProperty(
'KeepTemporaryWorkspaces', False,
"If True the normalization and data workspaces in addition to the normalized data will be outputted"
)
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output), "Output Workspace")
def PyInit(self):
self.declareProperty(
IMDHistoWorkspaceProperty("InputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
"Input Workspace with HKL dimensions centered on zero.")
self.declareProperty(
WorkspaceProperty("IntermediateWorkspace",
"",
optional=PropertyMode.Optional,
direction=Direction.Output),
"The resulting workspace after reflection removal and filters applied. What is the input of the FFT."
)
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output), "Output Workspace")
self.declareProperty("RemoveReflections", True,
"Remove HKL reflections")
condition = EnabledWhenProperty("RemoveReflections",
PropertyCriterion.IsDefault)
self.declareProperty("Shape",
"sphere",
doc="Shape to cut out reflections",
validator=StringListValidator(['sphere', 'cube']))
self.setPropertySettings("Shape", condition)
val_min_zero = FloatArrayBoundedValidator()
val_min_zero.setLower(0.)
self.declareProperty(
FloatArrayProperty("Size", [0.2], validator=val_min_zero),
"Width of cube/diameter of sphere used to remove reflections, in (HKL) (one or three values)"
)
self.setPropertySettings("Size", condition)
self.declareProperty(
"SpaceGroup",
"",
doc=
"Space group for reflection removal, either full name or number. If empty all HKL's will be removed."
)
self.setPropertySettings("SpaceGroup", condition)
self.declareProperty(
"CropSphere", False,
"Limit min/max q values. Can help with edge effects.")
condition = EnabledWhenProperty("CropSphere",
PropertyCriterion.IsNotDefault)
self.declareProperty(
FloatArrayProperty("SphereMin", [Property.EMPTY_DBL],
validator=val_min_zero),
"HKL values below which will be removed (one or three values)")
self.setPropertySettings("SphereMin", condition)
self.declareProperty(
FloatArrayProperty("SphereMax", [Property.EMPTY_DBL],
validator=val_min_zero),
"HKL values above which will be removed (one or three values)")
self.setPropertySettings("SphereMax", condition)
self.declareProperty("FillValue", Property.EMPTY_DBL,
"Value to replace with outside sphere")
self.setPropertySettings("FillValue", condition)
self.declareProperty(
"Convolution", True,
"Apply convolution to fill in removed reflections")
condition = EnabledWhenProperty("Convolution",
PropertyCriterion.IsDefault)
self.declareProperty("ConvolutionWidth",
2.0,
validator=FloatBoundedValidator(0.),
doc="Width of gaussian convolution in pixels")
self.setPropertySettings("ConvolutionWidth", condition)
self.declareProperty("Deconvolution", False,
"Apply deconvolution after fourier transform")
self.setPropertySettings("Deconvolution", condition)
# Reflections
self.setPropertyGroup("RemoveReflections", "Reflection Removal")
self.setPropertyGroup("Shape", "Reflection Removal")
self.setPropertyGroup("Size", "Reflection Removal")
self.setPropertyGroup("SpaceGroup", "Reflection Removal")
# Sphere
self.setPropertyGroup("CropSphere", "Cropping to a sphere")
self.setPropertyGroup("SphereMin", "Cropping to a sphere")
self.setPropertyGroup("SphereMax", "Cropping to a sphere")
self.setPropertyGroup("FillValue", "Cropping to a sphere")
# Convolution
self.setPropertyGroup("Convolution", "Convolution")
self.setPropertyGroup("ConvolutionWidth", "Convolution")
self.setPropertyGroup("Deconvolution", "Convolution")
def PyInit(self):
# Input params
self.declareProperty(
MultipleFileProperty(name="Filename",
extensions=[".nxs.h5", ".nxs"],
action=FileAction.OptionalLoad),
doc=
"Input autoreduced detector scan data files to convert to Q-space."
)
self.declareProperty(FileProperty(name="VanadiumFile",
defaultValue="",
extensions=[".nxs"],
direction=Direction.Input,
action=FileAction.OptionalLoad),
doc="File with Vanadium normalization scan data")
self.declareProperty('NormaliseBy', 'Time',
StringListValidator(['None', 'Time', 'Monitor']),
"Normalise to monitor, time or None.")
# Alternative WS inputs
self.declareProperty(
"InputWorkspaces",
defaultValue="",
direction=Direction.Input,
doc=
"Workspace or comma-separated workspace list containing input MDHisto scan data."
)
self.declareProperty(
IMDHistoWorkspaceProperty("VanadiumWorkspace",
defaultValue="",
direction=Direction.Input,
optional=PropertyMode.Optional),
doc="MDHisto workspace containing vanadium normalization data")
# Detector adjustment options
self.declareProperty(
"DetectorHeightOffset",
defaultValue=0.0,
direction=Direction.Input,
doc=
"Optional distance (in meters) to move detector height (relative to current position)"
)
self.declareProperty(
"DetectorDistanceOffset",
defaultValue=0.0,
direction=Direction.Input,
doc=
"Optional distance (in meters) to move detector distance (relative to current position)"
)
self.declareProperty(
FloatPropertyWithValue(
"Wavelength", # EMPTY_DBL so it shows as blank in GUI
FloatPropertyWithValue.EMPTY_DBL),
doc=
"Optional wavelength value to use as backup if one was not found in the sample log"
)
# Which conversion algorithm to use
self.declareProperty(
"OutputType",
"Q-sample events",
StringListValidator(
['Q-sample events', 'Q-sample histogram', 'Detector']),
direction=Direction.Input,
doc=
"Whether to use ConvertHFIRSCDtoQ for an MDEvent, or ConvertWANDSCDtoQ for an MDHisto"
)
self.declareProperty(
"ScaleByMotorStep", False,
"If True then the intensity of the output in Q space will be scaled by the motor step size. "
"This will allow directly comparing the intensity of data measure with diffrent motor step sizes."
)
# MDEvent WS Specific options for ConvertHFIRSCDtoQ
self.declareProperty(
FloatArrayProperty("MinValues", [-10, -10, -10],
FloatArrayLengthValidator(3),
direction=Direction.Input),
doc="3 comma separated values, one for each q_sample dimension")
self.declareProperty(
FloatArrayProperty("MaxValues", [10, 10, 10],
FloatArrayLengthValidator(3),
direction=Direction.Input),
doc=
"3 comma separated values, one for each q_sample dimension; must be larger than"
"those specified in MinValues")
self.declareProperty(
"MergeInputs",
defaultValue=False,
direction=Direction.Input,
doc=
"If all inputs should be merged into one MDEvent output workspace")
# MDHisto WS Specific options for ConvertWANDSCDtoQ
self.declareProperty(
FloatArrayProperty("BinningDim0", [-8.02, 8.02, 401],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 0th dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.declareProperty(
FloatArrayProperty("BinningDim1", [-2.52, 2.52, 126],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 1st dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.declareProperty(
FloatArrayProperty("BinningDim2", [-8.02, 8.02, 401],
FloatArrayLengthValidator(3),
direction=Direction.Input),
"Binning parameters for the 2nd dimension. Enter it as a"
"comma-separated list of values with the"
"format: 'minimum,maximum,number_of_bins'.")
self.setPropertySettings(
"Filename",
EnabledWhenProperty('InputWorkspaces',
PropertyCriterion.IsDefault))
self.setPropertySettings(
"VanadiumFile",
EnabledWhenProperty('VanadiumWorkspace',
PropertyCriterion.IsDefault))
self.setPropertySettings(
"InputWorkspaces",
EnabledWhenProperty('Filename', PropertyCriterion.IsDefault))
self.setPropertySettings(
"VanadiumWorkspace",
EnabledWhenProperty('VanadiumFile', PropertyCriterion.IsDefault))
self.setPropertySettings(
"ScaleByMotorStep",
EnabledWhenProperty('OutputType', PropertyCriterion.IsNotEqualTo,
"Detector"))
event_settings = EnabledWhenProperty('OutputType',
PropertyCriterion.IsEqualTo,
'Q-sample events')
self.setPropertyGroup("MinValues", "MDEvent Settings")
self.setPropertyGroup("MaxValues", "MDEvent Settings")
self.setPropertyGroup("MergeInputs", "MDEvent Settings")
self.setPropertySettings("MinValues", event_settings)
self.setPropertySettings("MaxValues", event_settings)
self.setPropertySettings("MergeInputs", event_settings)
histo_settings = EnabledWhenProperty('OutputType',
PropertyCriterion.IsEqualTo,
'Q-sample histogram')
self.setPropertyGroup("BinningDim0", "MDHisto Settings")
self.setPropertyGroup("BinningDim1", "MDHisto Settings")
self.setPropertyGroup("BinningDim2", "MDHisto Settings")
self.setPropertySettings("BinningDim0", histo_settings)
self.setPropertySettings("BinningDim1", histo_settings)
self.setPropertySettings("BinningDim2", histo_settings)
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
optional=PropertyMode.Mandatory,
direction=Direction.Output),
doc=
"Output MDWorkspace in Q-space, name is prefix if multiple input files were provided."
)