def PyInit(self):
self.declareProperty(name='InputType',defaultValue='File',validator=StringListValidator(['File','Workspace']),
doc='Origin of data input - File (.nxs) or Workspace')
self.declareProperty(name='Instrument',defaultValue='iris',validator=StringListValidator(['irs','iris','osi','osiris']),
doc='Instrument')
self.declareProperty(name='Analyser',defaultValue='graphite002',validator=StringListValidator(['graphite002','graphite004']),
doc='Analyser & reflection')
self.declareProperty(name='SamNumber',defaultValue='',validator=StringMandatoryValidator(), doc='Sample run number')
self.declareProperty(name='ResInputType',defaultValue='File',validator=StringListValidator(['File','Workspace']),
doc='Origin of res input - File (_res.nxs) or Workspace')
self.declareProperty(name='ResNumber',defaultValue='',validator=StringMandatoryValidator(), doc='Resolution run number')
self.declareProperty(name='ResNormInputType',defaultValue='File',validator=StringListValidator(['File','Workspace']),
doc='Origin of ResNorm input - File (_red.nxs) or Workspace')
self.declareProperty(name='ResNormNumber',defaultValue='',validator=StringMandatoryValidator(), doc='ResNorm run number')
self.declareProperty(name='ElasticOption',defaultValue=True, doc='Include elastic peak in fit')
self.declareProperty(name='BackgroundOption',defaultValue='Sloping',validator=StringListValidator(['Sloping','Flat','Zero']),
doc='Form of background to fit')
self.declareProperty(name='EnergyMin', defaultValue=-0.5, doc='Minimum energy for fit. Default=-0.5')
self.declareProperty(name='EnergyMax', defaultValue=0.5, doc='Maximum energy for fit. Default=0.5')
self.declareProperty(name='SamBinning', defaultValue=1, doc='Binning value(integer) for sample. Default=1')
self.declareProperty(name='NumberSigma', defaultValue=50, doc='Number of sigma values. Default=50')
self.declareProperty(name='NumberBeta', defaultValue=30, doc='Number of beta values. Default=30')
self.declareProperty(name='Sequence',defaultValue=True, doc='Switch Sequence Off/On')
self.declareProperty(name='Plot',defaultValue='None',validator=StringListValidator(['None','Sigma','Beta','All']),
doc='Plot options')
self.declareProperty(name='Verbose',defaultValue=True, doc='Switch Verbose Off/On')
self.declareProperty(name='Save',defaultValue=False, doc='Switch Save result to nxs file Off/On')
def PyInit(self):
self.declareProperty("instrument", "Full",
StringListValidator(["mar", "maps"]))
self.declareProperty("Runfile",
"",
validator=StringMandatoryValidator(),
doc="runfile")
self.declareProperty("dVan",
"",
validator=StringMandatoryValidator(),
doc="Detector Vanadium")
#self.declareWorkspaceProperty("Run file","", Direction = Direction.Input, doc = "A value for the end of the range(inclusive)")
#self.declareWorkspaceProperty("Whitebeam", "", Direction = Direction.Input, doc = "Optional preamble")
self.declareProperty("Ei",
"",
StringMandatoryValidator(),
doc='Ei guess')
self.declareProperty("Rebin",
"",
StringMandatoryValidator(),
doc='Rebin string')
self.declareProperty("keywords", "", doc='Key words')
self.declareProperty("mapfile",
"",
StringMandatoryValidator(),
doc='mapfile')
def PyInit(self):
self.declareProperty(MatrixWorkspaceProperty('InputWorkspace', "", direction=Direction.Input))
self.declareProperty('Axis1', "", StringMandatoryValidator())
self.declareProperty('Axis2', "", StringMandatoryValidator())
self.declareProperty('Units', "", StringMandatoryValidator())
self.declareProperty(FloatArrayProperty('Limits', direction=Direction.Input))
self.declareProperty('EMode', "Direct", StringMandatoryValidator())
self.declareProperty('ProjectionType', "QE", StringMandatoryValidator(), doc='Q or Theta projection')
self.declareProperty(IMDEventWorkspaceProperty('OutputWorkspace', "", direction=Direction.Output))
def PyInit(self):
self.declareProperty(
name='InputType',
defaultValue='File',
validator=StringListValidator(['File', 'Workspace']),
doc='Origin of data input - File (.nxs) or Workspace')
self.declareProperty(name='Instrument',
defaultValue='iris',
validator=StringListValidator(
['irs', 'iris', 'osi', 'osiris']),
doc='Instrument')
self.declareProperty(name='Analyser',
defaultValue='graphite002',
validator=StringListValidator(
['graphite002', 'graphite004']),
doc='Analyser & reflection')
self.declareProperty(name='VanNumber',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample run number')
self.declareProperty(
name='ResInputType',
defaultValue='File',
validator=StringListValidator(['File', 'Workspace']),
doc='Origin of res input - File (_res.nxs) or Workspace')
self.declareProperty(name='ResNumber',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Resolution run number')
self.declareProperty(name='EnergyMin',
defaultValue=-0.2,
doc='Minimum energy for fit. Default=-0.2')
self.declareProperty(name='EnergyMax',
defaultValue=0.2,
doc='Maximum energy for fit. Default=0.2')
self.declareProperty(
name='VanBinning',
defaultValue=1,
doc='Binning value (integer) for sample. Default=1')
self.declareProperty(name='Plot',
defaultValue='None',
validator=StringListValidator([
'None', 'Intensity', 'Stretch', 'Fit', 'All'
]),
doc='Plot options')
self.declareProperty(name='Verbose',
defaultValue=True,
doc='Switch Verbose Off/On')
self.declareProperty(name='Save',
defaultValue=False,
doc='Switch Save result to nxs file Off/On')
def PyInit(self): self.declareProperty(name='Instrument',defaultValue='IRIS',validator=StringListValidator(['IRIS','OSIRIS']), doc='Instrument') self.declareProperty(name='Analyser',defaultValue='graphite',validator=StringListValidator(['graphite','fmica']), doc='Analyser') self.declareProperty(name='Reflection',defaultValue='002',validator=StringListValidator(['002','004']), doc='Reflection') self.declareProperty(name='Chemical Formula',defaultValue='',validator=StringMandatoryValidator(), doc='Sample chemical formula') self.declareProperty(name='Number Density', defaultValue=0.1, doc='Number denisty. Default=0.1') self.declareProperty(name='Thickness', defaultValue=0.1, doc='Sample thickness. Default=0.1')
def PyInit(self):
# Declare algorithm properties.
self.declareProperty(
'Runs',
'',
StringMandatoryValidator(),
doc='The range of runs to retrieve the run info for. E.g. "100-105".')
self.declareProperty(ITableWorkspaceProperty("OutputWorkspace", "", Direction.Output),\
doc= """The name of the TableWorkspace that will be created. '''You must specify a name that does not already exist.''' """)
def PyInit(self): self.declareProperty(name='Analyser', defaultValue='silicon', validator=StringListValidator(['silicon']), doc = 'Analyser crystal') self.declareProperty(name='Reflection', defaultValue='111', validator=StringListValidator(['111']), doc = 'Analyser reflection') self.declareProperty(name='RunName', defaultValue='', validator=StringMandatoryValidator(), doc = 'Run name (after <Instr>_)') self.declareProperty(name='Map', defaultValue='default', validator=StringListValidator(['default','user']), doc = 'Use detector map') self.declareProperty(name='Mirror', defaultValue=False, doc = 'Mirror mode') self.declareProperty(name='Verbose', defaultValue=True, doc = 'Switch Verbose Off/On') self.declareProperty(name='Save', defaultValue=False, doc = 'Switch Save result to nxs file Off/On') self.declareProperty(name='Plot', defaultValue=False, doc = 'Plot options')
def PyInit(self):
# Sample
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace', '', direction=Direction.Input),
doc='Sample workspace')
self.declareProperty(name='SampleChemicalFormula', defaultValue='',
validator=StringMandatoryValidator(),
doc='Chemical formula for the sample')
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='SampleHeight', defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Sample height')
self.declareProperty(name='SampleWidth', defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Sample width')
self.declareProperty(name='SampleThickness', defaultValue=0.5,
validator=FloatBoundedValidator(0.0),
doc='Sample thickness')
# Container
self.declareProperty(MatrixWorkspaceProperty('CanWorkspace', '', optional=PropertyMode.Optional,
direction=Direction.Input),
doc='Container workspace')
self.declareProperty(name='UseCanCorrections', defaultValue=False,
doc='Use can corrections in subtraction')
self.declareProperty(name='CanChemicalFormula', defaultValue='',
doc='Chemical formula for the Container')
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=0.1,
validator=FloatBoundedValidator(0.0),
doc='Can front thickness')
self.declareProperty(name='CanBackThickness', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Can back thickness')
self.declareProperty(name='CanScaleFactor', defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Scale factor to multiply can data')
# General
self.declareProperty(name='ElementSize', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Element size in mm')
# Output
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '', direction=Direction.Output),
doc='The output corrected workspace')
self.declareProperty(WorkspaceGroupProperty('CorrectionsWorkspace', '', direction=Direction.Output,
optional=PropertyMode.Optional),
doc='The workspace group to save correction factors')
def PyInit(self):
self.declareProperty(
FileProperty('Directory', '', action=FileAction.Directory),
doc='Path to directory containing data files for logging.')
self.declareProperty(ITableWorkspaceProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output table workspace.')
self.declareProperty(
"NumorRange", [0, 0],
direction=Direction.Input,
validator=IntArrayBoundedValidator(lower=0),
doc=
'Numor range or a list of numors to be analysed in the directory.')
facilities = StringListValidator(list(config.getFacilityNames()))
self.declareProperty(name='Facility',
defaultValue='ILL',
validator=facilities,
direction=Direction.Input,
doc='Facility the data belongs to.')
self.declareProperty(
'Instrument',
'',
validator=StringMandatoryValidator(),
direction=Direction.Input,
doc='Instrument the data has been collected with.')
self.declareProperty(FileProperty('OutputFile',
'',
extensions=".csv",
action=FileAction.OptionalSave),
doc='Comma-separated output file.')
self.declareProperty(
'OptionalHeaders',
'',
doc=
'Names of optional metadata to be included in the logbook. Entries need to be specified'
'in the instrument IPF.')
self.declareProperty(
'CustomEntries',
'',
doc=
'Custom NeXus paths for additional metadata to be included in the logbook.'
)
self.declareProperty('CustomHeaders',
'',
doc='Names of those additional custom entries.')
def PyInit(self):
ws_validator = CompositeValidator([WorkspaceUnitValidator('Wavelength'), 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='SampleNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample number density in atoms/Angstrom3')
self.declareProperty(name='SampleThickness', defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Sample thickness in cm')
self.declareProperty(name='SampleAngle', defaultValue=0.0,
doc='Sample angle in degrees')
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='CanNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Container number density in atoms/Angstrom3')
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']),
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):
self.declareProperty(name='Instrument',defaultValue='iris',
validator=StringListValidator(['irs','iris','osi','osiris']), doc='Instrument')
self.declareProperty(name='Analyser',defaultValue='graphite002',validator=StringListValidator(['graphite002','graphite004']))
self.declareProperty(name='Geom',defaultValue='Flat',validator=StringListValidator(['Flat','Cyl']), doc='Sample geometry')
self.declareProperty(name='SamNumber',defaultValue='',validator=StringMandatoryValidator(), doc='Sample data run number')
self.declareProperty(name='SqwInput',defaultValue='',validator=StringMandatoryValidator(), doc='Sqw file run number')
self.declareProperty(name='NR1', defaultValue=1000, doc='MonteCarlo neutrons NR1. Default=1000')
self.declareProperty(name='NR2', defaultValue=1000, doc='MonteCarlo neutrons NR2. Default=1000')
self.declareProperty(name='Nms', defaultValue=1, doc='Number of scatterings. Default=1')
self.declareProperty(name='DetAngle', defaultValue=90.0, doc='Detector angle. Default=90.0')
self.declareProperty(name='Thick', defaultValue='',validator=StringMandatoryValidator(), doc='Sample thickness')
self.declareProperty(name='Width', defaultValue='',validator=StringMandatoryValidator(), doc='Sample width')
self.declareProperty(name='Height', defaultValue=3.0, doc='Sample height. Default=3.0')
self.declareProperty(name='Density', defaultValue=0.1, doc='Sample number density. Default=0.1')
self.declareProperty(name='SigScat', defaultValue=5.0, doc='Scattering cross-section. Default=5.0')
self.declareProperty(name='SigAbs', defaultValue=0.1, doc='Absorption cross-section. Default=0.1')
self.declareProperty(name='Temperature', defaultValue=300.0, doc='Sample temperature (K). Default=300.0')
self.declareProperty(name='Plot',defaultValue='None',validator=StringListValidator(['None','Totals','Scat1','All']))
self.declareProperty(name='Verbose',defaultValue=True, doc='Switch Verbose Off/On')
self.declareProperty(name='Save',defaultValue=False, doc='Switch Save result to nxs file Off/On')
def PyInit(self):
# Sample options
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace', '', direction=Direction.Input),
doc='Sample workspace.')
self.declareProperty(name='SampleChemicalFormula', defaultValue='',
validator=StringMandatoryValidator(),
doc='Chemical formula for the sample')
self.declareProperty(name='SampleNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample number density')
self.declareProperty(name='SampleInnerRadius', defaultValue=0.2,
validator=FloatBoundedValidator(0.0),
doc='Sample radius')
self.declareProperty(name='SampleOuterRadius', defaultValue=0.25,
validator=FloatBoundedValidator(0.0),
doc='Sample radius')
# Container options
self.declareProperty(MatrixWorkspaceProperty('CanWorkspace', '', optional=PropertyMode.Optional,
direction=Direction.Input),
doc='Container workspace.')
self.declareProperty(name='UseCanCorrections', defaultValue=False,
doc='Use can corrections in subtraction')
self.declareProperty(name='CanChemicalFormula', defaultValue='',
doc='Chemical formula for the can')
self.declareProperty(name='CanNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Can number density')
self.declareProperty(name='CanInnerRadius', defaultValue=0.19,
validator=FloatBoundedValidator(0.0),
doc='Sample radius')
self.declareProperty(name='CanOuterRadius', defaultValue=0.26,
validator=FloatBoundedValidator(0.0),
doc='Sample radius')
self.declareProperty(name='CanScaleFactor', defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Scale factor to multiply can data')
# General options
self.declareProperty(name='Events', defaultValue=5000,
validator=IntBoundedValidator(0),
doc='Number of neutron events')
self.declareProperty(name='Plot', defaultValue=False,
doc='Plot options')
# Output options
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '', direction=Direction.Output),
doc='The output corrected workspace.')
self.declareProperty(WorkspaceGroupProperty('CorrectionsWorkspace', '', direction=Direction.Output,
optional=PropertyMode.Optional),
doc='The corrections workspace for scattering and absorptions in sample.')
def PyInit(self):
ws_validator = CompositeValidator([WorkspaceUnitValidator('Wavelength'), 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='SampleNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample number density in atoms/Angstrom3')
self.declareProperty(name='SampleInnerRadius', defaultValue=0.05,
doc='Sample inner radius')
self.declareProperty(name='SampleOuterRadius', defaultValue=0.1,
doc='Sample outer radius')
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='CanNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Container number density in atoms/Angstrom3')
self.declareProperty(name='CanOuterRadius', defaultValue=0.15,
doc='Can outer radius')
self.declareProperty(name='BeamHeight', defaultValue=3.0,
doc='Height of the beam at the sample.')
self.declareProperty(name='BeamWidth', defaultValue=2.0,
doc='Width of the beam at the sample.')
self.declareProperty(name='StepSize', defaultValue=0.002,
doc='Step size 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']),
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):
self.declareProperty(
WorkspaceProperty('InputWorkspace', "", direction=Direction.Input))
self.declareProperty(PropertyManagerProperty(
'XAxis', {}, direction=Direction.Input),
doc='MSlice Axis object as a dictionary')
self.declareProperty(PropertyManagerProperty(
'YAxis', {}, direction=Direction.Input),
doc='MSlice Axis object as a dictionary')
self.declareProperty('EMode', 'Direct', StringMandatoryValidator())
self.declareProperty('PSD', False)
self.declareProperty('NormToOne', False)
self.declareProperty(
WorkspaceProperty('OutputWorkspace',
'',
direction=Direction.Output))
def PyInit(self):
self.declareProperty("StringInput", "",
StringMandatoryValidator())
self.declareProperty(
FloatArrayProperty("ArrayInput",
FloatArrayMandatoryValidator()))
def PyInit(self):
# Sample options
self.declareProperty(MatrixWorkspaceProperty(
'SampleWorkspace', '', direction=Direction.Input),
doc='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='SampleRadius',
defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample radius')
self.declareProperty(name='SampleHeight',
defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Sample height')
# Container options
self.declareProperty(MatrixWorkspaceProperty(
'CanWorkspace',
'',
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='Container workspace.')
self.declareProperty(name='UseCanCorrections',
defaultValue=False,
doc='Use can corrections in subtraction')
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='CanRadius',
defaultValue=0.2,
validator=FloatBoundedValidator(0.0),
doc='Can radius')
self.declareProperty(name='CanScaleFactor',
defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Scale factor to multiply can data')
# Beam size
self.declareProperty(name='BeamHeight',
defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Height of the beam (cm)')
self.declareProperty(name='BeamWidth',
defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Width of the beam (cm)')
# General options
self.declareProperty(name='NumberWavelengths',
defaultValue=10,
validator=IntBoundedValidator(1),
doc='Number of wavelengths for calculation')
self.declareProperty(name='Events',
defaultValue=5000,
validator=IntBoundedValidator(0),
doc='Number of neutron events')
# Output options
self.declareProperty(MatrixWorkspaceProperty(
'OutputWorkspace', '', direction=Direction.Output),
doc='The output corrected workspace.')
self.declareProperty(
WorkspaceGroupProperty('CorrectionsWorkspace',
'',
direction=Direction.Output,
optional=PropertyMode.Optional),
doc=
'The corrections workspace for scattering and absorptions in sample.'
)
def PyInit(self):
# Input
self.declareProperty(
MultipleFileProperty('UBfiles', extensions=".mat"),
doc=
'Files with exported UB (from SaveISawUB). The filename must have .mat extension and only contain '
'the run number as would be supplied to Load (e.g. WISH00043350.mat). The first UB will be the '
'reference (typically, but not necessarily, omega = phi = 0) and a consistent UB will be made '
'for each of the subsequent runs.')
self.declareProperty(
name="Chi",
defaultValue=45.0,
direction=Direction.Input,
validator=FloatBoundedValidator(lower=0.0, upper=90.0),
doc="Angle of the goniometer axis from +ve Z (vertical up).")
self.declareProperty(
name="ChiTol",
defaultValue=5.0,
validator=FloatBoundedValidator(lower=0.0, upper=45.0),
direction=Direction.Input,
doc="Tolerance of chi angle to test for consistency.")
self.declareProperty(
name="PhiTol",
defaultValue=15.0,
validator=FloatBoundedValidator(lower=0.0, upper=45.0),
direction=Direction.Input,
doc=
"Tolerance of phi angle to test for consistency (due to uncertainty on the gonio axis at omega=0"
"this tol might need to be quite large).")
self.declareProperty(
name="PhiHand",
defaultValue=1,
validator=IntListValidator([-1, 1]),
direction=Direction.Input,
doc=
"Handedness for the phi angles (rotation around goniometer axis) in the"
" log file (1 for ccw/RH, -1 for cw/LH)")
self.declareProperty(
name="PhiLogName",
defaultValue='ewald_pos',
direction=Direction.Input,
validator=StringMandatoryValidator(),
doc=
"Name of log entry that records angle of rotation about goniometer axis"
)
self.declareProperty(
name="DOmega",
defaultValue=0.0,
direction=Direction.Input,
validator=FloatBoundedValidator(lower=0.0, upper=180.0),
doc=
"omega rotation between component of goniometer axis in XY-plane from +ve Y-axis"
"(perpendicular to ki)")
self.declareProperty(
name="OmegaHand",
defaultValue=1,
validator=IntListValidator([-1, 1]),
direction=Direction.Input,
doc=
"Handedness for the omega angles (rotation around +ve Z) in the log file (1 for ccw/RH, -1 for cw/LH)"
)
self.declareProperty(
name="OmegaLogName",
defaultValue='ccr_pos',
direction=Direction.Input,
validator=StringMandatoryValidator(),
doc=
"Name of log entry that records angle of rotation about vertical axis"
)
# output
self.declareProperty(
ITableWorkspaceProperty(name="OutputTable",
defaultValue="",
validator=StringMandatoryValidator(),
direction=Direction.Output),
doc=
"Output table to display goniometer axis and angles for runs with UBs that can share common indexing"
)
def PyInit(self):
# Refinement parameters
self.declareProperty(
name="QTolerance",
defaultValue=0.5,
direction=Direction.Input,
validator=FloatBoundedValidator(lower=0.0),
doc="Radius of isotropic q envelope to search within.")
self.declareProperty(
name="QDecrement",
defaultValue=0.95,
validator=FloatBoundedValidator(lower=0.0, upper=1.0),
direction=Direction.Input,
doc="Multiplicative factor by which to decrement q envelope\
on each iteration.")
self.declareProperty(name="DTolerance",
defaultValue=0.01,
direction=Direction.Input,
validator=FloatBoundedValidator(lower=0.0),
doc="Observed peak is linked if\
abs(dSpacing) < dPredicted + dTolerance.")
self.declareProperty(
name="NumPeaks",
defaultValue=15,
direction=Direction.Input,
validator=IntBoundedValidator(lower=0),
doc="Number of peaks, ordered from highest to lowest \
dSpacing to consider.")
self.declareProperty(
name="PeakIncrement",
defaultValue=10,
validator=IntBoundedValidator(lower=0),
direction=Direction.Input,
doc="Number of peaks to add to numPeaks on each iteration.")
self.declareProperty(name="Iterations",
defaultValue=10,
validator=IntBoundedValidator(lower=1),
direction=Direction.Input,
doc="Number of cycles of refinement.")
# lattice
self.declareProperty(name="a",
defaultValue=1.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter a.")
self.declareProperty(name="b",
defaultValue=1.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter b.")
self.declareProperty(name="c",
defaultValue=1.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter c.")
self.declareProperty(name="alpha",
defaultValue=90.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter alpha.")
self.declareProperty(name="beta",
defaultValue=90.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter beta.")
self.declareProperty(name="gamma",
defaultValue=90.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Lattice parameter gamma.")
# linked predicted peaks parameters
self.declareProperty(
name="MinWavelength",
defaultValue=0.8,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Minimum wavelength for LinkedPredictedPeaks.")
self.declareProperty(
name="MaxWavelength",
defaultValue=9.3,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Maximum wavelength for LinkedPredictedPeaks.")
self.declareProperty(name="MinDSpacing",
defaultValue=0.6,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Minimum dSpacing for LinkedPredictedPeaks.")
self.declareProperty(name="MaxDSpacing",
defaultValue=20.0,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc="Maximum dSpacing for LinkedPredictedPeaks.")
self.declareProperty(name="ReflectionCondition",
defaultValue="Primitive",
direction=Direction.Input,
validator=StringListValidator([
"Primitive", "C-face centred",
"A-face centred", "B-face centred",
"Body centred", "All-face centred",
"Rhombohedrally centred, obverse",
"Rhombohedrally centred, reverse",
"Hexagonally centred, reverse"
]),
doc="Reflection condition \
for LinkedPredictedPeaks.")
# input workspaces
self.declareProperty(
WorkspaceProperty(name="Workspace",
defaultValue="",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="Instrument workspace on which observed peaks are defined.")
self.declareProperty(
ITableWorkspaceProperty(name="ObservedPeaks",
defaultValue="",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="FindPeaks table to which PredictedPeaks are compared.")
self.declareProperty(
ITableWorkspaceProperty(name="PredictedPeaks",
defaultValue="",
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc="PredictedPeaks table to which ObservedPeaks are compared.")
# output workspaces
self.declareProperty(
ITableWorkspaceProperty(name="LinkedPeaks",
defaultValue="",
validator=StringMandatoryValidator(),
direction=Direction.Output),
doc="Linked peaks: UB matrix consistent with that of \
PredictedPeaks.")
self.declareProperty(
ITableWorkspaceProperty(name="LinkedPredictedPeaks",
defaultValue="",
validator=StringMandatoryValidator(),
direction=Direction.Output),
doc="LinkedPredictedPeaks: UB matrix consistent with \
PredictedPeaks.")
self.declareProperty(
"DeleteWorkspace",
defaultValue=False,
direction=Direction.Input,
doc="Delete workspace after execution for memory management.")
# groupings
self.setPropertyGroup("QTolerance", "Refinement parameters")
self.setPropertyGroup("QDecrement", "Refinement parameters")
self.setPropertyGroup("DTolerance", "Refinement parameters")
self.setPropertyGroup("NumPeaks", "Refinement parameters")
self.setPropertyGroup("PeakIncrement", "Refinement parameters")
self.setPropertyGroup("Iterations", "Refinement parameters")
self.setPropertyGroup("a", "Lattice")
self.setPropertyGroup("b", "Lattice")
self.setPropertyGroup("c", "Lattice")
self.setPropertyGroup("alpha", "Lattice")
self.setPropertyGroup("beta", "Lattice")
self.setPropertyGroup("gamma", "Lattice")
self.setPropertyGroup("MinWavelength", "PredictPeaksParameters")
self.setPropertyGroup("MaxWavelength", "PredictPeaksParameters")
self.setPropertyGroup("MinDSpacing", "PredictPeaksParameters")
self.setPropertyGroup("MaxDSpacing", "PredictPeaksParameters")
self.setPropertyGroup("ReflectionCondition", "PredictPeaksParameters")
self.setPropertyGroup("Workspace", "Input")
self.setPropertyGroup("ObservedPeaks", "Input")
self.setPropertyGroup("PredictedPeaks", "Input")
self.setPropertyGroup("LinkedPeaks", "Output")
self.setPropertyGroup("LinkedPredictedPeaks", "Output")
self.setPropertyGroup("DeleteWorkspace", "Output")
def PyInit(self):
self.declareProperty(
MatrixWorkspaceProperty('InputWorkspace', '',
direction=Direction.Input,
optional=PropertyMode.Optional,
validator=CommonBinsValidator()),
doc='Input workspace with wavelength range to calculate for the correction.')
self.declareProperty(name='WavelengthRange', defaultValue='',
doc='Wavelength range to calculate efficiency for.')
self.declareProperty(
MatrixWorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc="Output workspace for the efficiency correction. \
This can be applied by multiplying the OutputWorkspace \
to the workspace that requires the correction.")
self.declareProperty(
name='ChemicalFormula', defaultValue='None',
validator=StringMandatoryValidator(),
doc='Sample chemical formula used to determine cross-section term.')
self.declareProperty(
name='DensityType', defaultValue='Mass Density',
validator=StringListValidator(['Mass Density', 'Number Density']),
doc='Use of Mass density (g/cm^3) or Number density (atoms/Angstrom^3)')
self.declareProperty(
name='Density',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0),
doc='Mass density (g/cm^3) or Number density (atoms/Angstrom^3).')
self.declareProperty(
name='Thickness',
defaultValue=1.0,
validator=FloatBoundedValidator(0.0),
doc='Sample thickness (cm).')
self.declareProperty(
name='MeasuredEfficiency',
defaultValue=0.0,
validator=FloatBoundedValidator(0.0, 1.0),
doc="Directly input the efficiency measured at MeasuredEfficiencyWavelength. \
This is used to determine a Density*Thickness term.")
self.declareProperty(
name='MeasuredEfficiencyWavelength',
defaultValue=1.7982,
validator=FloatBoundedValidator(0.0),
doc="The wavelength at which the MeasuredEfficiency was measured.")
self.declareProperty(
name='Alpha', defaultValue=0.0,
doc="Directly input the alpha term in exponential to multiply by the wavelength. \
XSectionType has no effect if this is used.")
self.declareProperty(
name='XSectionType',
defaultValue="AttenuationXSection",
validator=StringListValidator(['AttenuationXSection', 'TotalXSection']),
doc='Use either the absorption or total cross section in exponential term. \
The absorption cross section is for monitor-type corrections and \
the total cross section is for transmission-type corrections')
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')
def PyInit(self):
self.declareProperty(
name='InputType',
defaultValue='File',
validator=StringListValidator(['File', 'Workspace']),
doc='Origin of data input - File (.nxs) or Workspace')
self.declareProperty(name='Instrument',
defaultValue='iris',
validator=StringListValidator(
['irs', 'iris', 'osi', 'osiris']),
doc='Instrument')
self.declareProperty(name='Analyser',
defaultValue='graphite002',
validator=StringListValidator(
['graphite002', 'graphite004']),
doc='Analyser & reflection')
self.declareProperty(name='Program',
defaultValue='QL',
validator=StringListValidator(['QL', 'QSe']),
doc='Name of program to run')
self.declareProperty(name='SamNumber',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample run number')
self.declareProperty(
name='ResInputType',
defaultValue='File',
validator=StringListValidator(['File', 'Workspace']),
doc='Origin of res input - File (_res.nxs) or Workspace')
self.declareProperty(name='ResType',
defaultValue='Res',
validator=StringListValidator(['Res', 'Data']),
doc='Format of Resolution file')
self.declareProperty(name='ResNumber',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Resolution run number')
self.declareProperty(name='ResNorm',
defaultValue=False,
doc='Use ResNorm output file')
self.declareProperty(
name='ResNormInputType',
defaultValue='File',
validator=StringListValidator(['File', 'Workspace']),
doc='Origin of ResNorm input - File (_red.nxs) or Workspace')
self.declareProperty(name='ResNormNumber',
defaultValue='',
doc='ResNorm run number')
self.declareProperty(name='BackgroundOption',
defaultValue='Sloping',
validator=StringListValidator(
['Sloping', 'Flat', 'Zero']),
doc='Form of background to fit')
self.declareProperty(name='ElasticOption',
defaultValue=True,
doc='Include elastic peak in fit')
self.declareProperty(name='FixWidth',
defaultValue=False,
doc='Fix one of the widths')
self.declareProperty(name='WidthFile',
defaultValue='',
doc='Name of file containing fixed width values')
self.declareProperty(name='EnergyMin',
defaultValue=-0.5,
doc='Minimum energy for fit. Default=-0.5')
self.declareProperty(name='EnergyMax',
defaultValue=0.5,
doc='Maximum energy for fit. Default=0.5')
self.declareProperty(
name='SamBinning',
defaultValue=1,
doc='Binning value (integer) for sample. Default=1')
self.declareProperty(
name='ResBinning',
defaultValue=1,
doc='Binning value (integer) for resolution - QLd only. Default=1')
self.declareProperty(name='Sequence',
defaultValue=True,
doc='Switch Sequence Off/On')
self.declareProperty(name='Plot',
defaultValue='None',
validator=StringListValidator([
'None', 'ProbBeta', 'Intensity', 'FwHm',
'Fit', 'All'
]),
doc='Plot options')
self.declareProperty(name='Verbose',
defaultValue=True,
doc='Switch Verbose Off/On')
self.declareProperty(name='Save',
defaultValue=False,
doc='Switch Save result to nxs file Off/On')
def PyInit(self):
self.declareProperty(name='Instrument',
defaultValue='iris',
validator=StringListValidator(
['irs', 'iris', 'osi', 'osiris']),
doc='Instrument')
self.declareProperty(name='Analyser',
defaultValue='graphite002',
validator=StringListValidator(
['graphite002', 'graphite004']))
self.declareProperty(name='Geom',
defaultValue='Flat',
validator=StringListValidator(['Flat', 'Cyl']),
doc='')
self.declareProperty(name='Dispersion',
defaultValue='Poly',
validator=StringListValidator(
['Poly', 'CE', 'SS']),
doc='')
self.declareProperty(name='SamNumber',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample data run number')
self.declareProperty(name='NR1',
defaultValue=1000,
doc='MonteCarlo neutrons NR1. Default=1000')
self.declareProperty(name='NR2',
defaultValue=1000,
doc='MonteCarlo neutrons NR2. Default=1000')
self.declareProperty(name='Nms',
defaultValue=1,
doc='Number of scatterings. Default=1')
self.declareProperty(name='DetAngle',
defaultValue=90.0,
doc='Detector angle. Default=90.0')
self.declareProperty(name='NQ',
defaultValue=10,
doc='Q-w grid: number of Q values. Default=10')
self.declareProperty(name='dQ',
defaultValue=0.2,
doc='Q-w grid: Q increment. Default=0.2')
self.declareProperty(name='NW',
defaultValue=100,
doc='Q-w grid: number of w values. Default=100')
self.declareProperty(
name='dW',
defaultValue=2.0,
doc='Q-w grid: w increment (microeV). Default=2.0')
self.declareProperty(name='Coeff1',
defaultValue=0.,
doc='Coefficient 1. Default=0.0')
self.declareProperty(name='Coeff2',
defaultValue=0.,
doc='Coefficient 2. Default=0.0')
self.declareProperty(name='Coeff3',
defaultValue=50.0,
doc='Coefficient 3. Default=50.0')
self.declareProperty(name='Coeff4',
defaultValue=0.,
doc='Coefficient 4. Default=0.0')
self.declareProperty(name='Coeff5',
defaultValue=0.,
doc='Coefficient 5. Default=0.0')
self.declareProperty(name='Thick',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample thickness')
self.declareProperty(name='Width',
defaultValue='',
validator=StringMandatoryValidator(),
doc='Sample width')
self.declareProperty(name='Height',
defaultValue=3.0,
doc='Sample height. Default=3.0')
self.declareProperty(name='Density',
defaultValue=0.1,
doc='Sample density. Default=0.1')
self.declareProperty(name='SigScat',
defaultValue=5.0,
doc='Scattering cross-section. Default=5.0')
self.declareProperty(name='SigAbs',
defaultValue=0.1,
doc='Absorption cross-section. Default=0.1')
self.declareProperty(name='Temperature',
defaultValue=300.0,
doc='Sample temperature (K). Default=300.0')
self.declareProperty(name='Plot',
defaultValue='None',
validator=StringListValidator(
['None', 'Totals', 'Scat1', 'All']))
self.declareProperty(name='Verbose',
defaultValue=True,
doc='Switch Verbose Off/On')
self.declareProperty(name='Save',
defaultValue=False,
doc='Switch Save result to nxs file Off/On')
