def PyInit(self):
""" Declare properties
"""
val=FloatBoundedValidator()
val.setBounds(3,100) #reasonable incident nergy range for HYSPEC
self.declareProperty("IncidentEnergy",0.,val,"Incident energy (3 to 100 meV)")
self.declareProperty("TibMin",0.,Direction.Output)
self.declareProperty("TibMax",0.,Direction.Output)
return
def PyInit(self):
""" Declare properties """
self.declareProperty(
WorkspaceProperty("Workspace", "", Direction.Input),
"Workspace containing MR data")
self.declareProperty("AngleOffset", 0.,
FloatBoundedValidator(lower=0.),
"Angle offset (rad)")
self.declareProperty(
"UseSANGLE",
False,
doc=
"If True, use SANGLE as the scattering angle. If False, use DANGLE."
)
self.declareProperty(
"SpecularPixel",
0.,
doc="Pixel position of the specular reflectivity [optional]")
self.declareProperty("DirectPixelOverwrite",
Property.EMPTY_DBL,
doc="DIRPIX overwrite value")
self.declareProperty("DAngle0Overwrite",
Property.EMPTY_DBL,
doc="DANGLE0 overwrite value (degrees)")
self.declareProperty("Theta",
0.,
direction=Direction.Output,
doc="Scattering angle theta (rad)")
return
def PyInit(self):
# State
self.declareProperty(
PropertyManagerProperty('SANSState'),
doc='A property manager which fulfills the SANSState contract.')
# Input workspace in TOF
self.declareProperty(
MatrixWorkspaceProperty("InputWorkspace",
'',
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc='The monitor workspace in time-of-flight units.')
# A scale factor which could come from event workspace slicing. If the actual data workspace was sliced,
# then one needs to scale the monitor measurement proportionally. This input is intended for this matter
self.declareProperty(
'ScaleFactor',
defaultValue=1.0,
direction=Direction.Input,
validator=FloatBoundedValidator(0.0),
doc='Optional scale factor for the input workspace.')
# Output workspace
self.declareProperty(
MatrixWorkspaceProperty("OutputWorkspace",
'',
direction=Direction.Output),
doc='A monitor normalization workspace in units of wavelength.')
def PyInit(self):
self.declareProperty(MultipleFileProperty(name="Filename", action=FileAction.OptionalLoad,
extensions=[".dat"]), "Data files to load")
condition = EnabledWhenProperty("Filename", PropertyCriterion.IsDefault)
self.declareProperty('IPTS', Property.EMPTY_INT, "IPTS number to load from")
self.setPropertySettings("IPTS", condition)
self.declareProperty('Exp', Property.EMPTY_INT, "Experiment number to load from")
self.setPropertySettings("Exp", condition)
self.declareProperty(IntArrayProperty("ScanNumbers", []), 'Scan numbers to load')
self.setPropertySettings("ScanNumbers", condition)
self.declareProperty(FileProperty(name="Vanadium", defaultValue="", action=FileAction.OptionalLoad, extensions=[".dat", ".txt"]),
doc="Vanadium file, can be either the vanadium scan file or the reduced vcorr file. "
"If not provided the vcorr file adjacent to the data file will be used")
self.declareProperty('Normalise', True, "If False vanadium normalisation will not be performed")
self.declareProperty(IntArrayProperty("ExcludeDetectors", []),
doc="Detectors to exclude. If not provided the HB2A_exp???__exclude_detectors.txt adjacent "
"to the data file will be used if it exist")
self.declareProperty('DefX', '',
"By default the def_x (x-axis) from the file will be used, it can be overridden by setting it here")
self.declareProperty('IndividualDetectors', False,
"If True the workspace will include each anode as a separate spectrum, useful for debugging issues")
condition = EnabledWhenProperty("IndividualDetectors", PropertyCriterion.IsDefault)
self.declareProperty('BinData', True, "Data will be binned using BinWidth. If False then all data will be unbinned")
self.setPropertySettings("BinData", condition)
positiveFloat = FloatBoundedValidator(lower=0., exclusive=True)
self.declareProperty('BinWidth', 0.05, positiveFloat, "Bin size of the output workspace")
self.setPropertySettings("BinWidth", condition)
self.declareProperty('Scale', 1.0, positiveFloat, "The output will be scaled by this value")
self.declareProperty(WorkspaceProperty("OutputWorkspace", "",
optional=PropertyMode.Mandatory,
direction=Direction.Output),
"Output Workspace")
def PyInit(self):
self.declareProperty(MatrixWorkspaceProperty("InputWorkspace", "", Direction.Input),
"Workspace with focussed spectra")
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", "", Direction.Output),
"Workspace to contain the estimated background (one for each spectrum in the "
"InputWorkspace)")
self.declareProperty(
name="NIterations",
defaultValue=40,
direction=Direction.Input,
validator=IntBoundedValidator(lower=1),
doc="Number of iterations of the smoothing procedure to perform. Too few iterations and the background will"
" be enhanced in the peak regions. Too many iterations and the background will be unrealistically"
" low and not catch the rising edge at low TOF/d-spacing (typical values are in range 20-100).")
self.declareProperty(
name="XWindow",
defaultValue=1000.0,
direction=Direction.Input,
validator=FloatBoundedValidator(lower=0.0),
doc="Extent of the convolution window in the x-axis for all spectra. A reasonable value is about 4-8 times"
" the FWHM of a typical peak/feature to be suppressed (default is reasonable for TOF spectra). This is "
"converted to an odd number of points using the median bin width of each spectra.")
self.declareProperty('ApplyFilterSG', True, direction=Direction.Input,
doc='Apply a Savitzky–Golay filter with a linear polynomial over the same XWindow before'
' the iterative smoothing procedure (recommended for noisy data)')
def PyInit(self):
""" Declare properties
"""
self.declareProperty(
MatrixWorkspaceProperty("VanadiumWorkspace",
"",
direction=Direction.Input,
validator=InstrumentValidator()),
"Input Vanadium workspace")
self.declareProperty(
ITableWorkspaceProperty("EPPTable", "", direction=Direction.Input),
("Input EPP table. May be produced by FindEPP " + "algorithm."))
self.declareProperty(
MatrixWorkspaceProperty("OutputWorkspace",
"",
direction=Direction.Output),
("Name the workspace that will contain the " +
"calibration coefficients"))
self.declareProperty("Temperature",
defaultValue=Property.EMPTY_DBL,
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc=("Temperature during the experiment (in " +
"Kelvins) if the 'temperature' sample log " +
"is missing or needs to be overriden."))
return
def PyInit(self):
self.declareProperty(IPeaksWorkspaceProperty(
'Workspace', '', direction=Direction.InOut),
doc='Peaks Workspace to be modified')
self.declareProperty(
"Wavelength",
Property.EMPTY_DBL,
validator=FloatBoundedValidator(0.0),
doc=
"Wavelength to set the workspace, will be the value set on workspace if not provided."
)
self.declareProperty(
"OverrideProperty", False,
"If False then the value for InnerGoniometer and FlipX will be determiend from the workspace, "
"it True then the properties will be used")
condition = VisibleWhenProperty("OverrideProperty",
PropertyCriterion.IsNotDefault)
self.declareProperty(
"InnerGoniometer", False,
"Whether the goniometer to be calculated is the most inner (phi) or most outer (omega)"
)
self.setPropertySettings("InnerGoniometer", condition)
self.declareProperty(
"FlipX", False,
"Used when calculating goniometer angle if the q_lab x value should be negative, "
"hence the detector of the other side (right) of the beam")
self.setPropertySettings("FlipX", condition)
def PyInit(self):
validator = StringArrayLengthValidator()
validator.setLengthMin(
2) # even for workspacegroups at least 2 (SF, NSF) must be given
self.declareProperty(
StringArrayProperty(name="VanadiumWorkspaces",
direction=Direction.Input,
validator=validator),
doc=
"Comma separated list of Vanadium workspaces or groups of workspaces."
)
self.declareProperty(
StringArrayProperty(name="BackgroundWorkspaces",
direction=Direction.Input,
validator=validator),
doc=
"Comma separated list of Background workspaces or groups of workspaces."
)
self.declareProperty(
WorkspaceProperty("OutputWorkspace",
"",
direction=Direction.Output),
doc=
"Name of the workspace or group of workspaces that will contain computed coefficients."
)
self.declareProperty(
"TwoThetaTolerance",
0.05,
FloatBoundedValidator(lower=0, upper=0.1),
doc=
"Tolerance for 2theta comparison (degrees). Number between 0 and 0.1."
)
return
def PyInit(self):
validator = StringArrayLengthValidator()
validator.setLengthMin(1) # one group may be given
self.declareProperty(
StringArrayProperty(name="InputWorkspaces",
direction=Direction.Input,
validator=validator),
doc="Comma separated list of workspaces or groups of workspaces.")
self.declareProperty(
StringArrayProperty(name="SampleLogs",
direction=Direction.Input,
validator=validator),
doc="Comma separated list of sample logs to compare.")
self.declareProperty("Tolerance",
1e-3,
validator=FloatBoundedValidator(lower=1e-7,
upper=1.0),
doc="Tolerance for comparison of double values.")
self.declareProperty(
"Result", "A string that will be empty if all the logs match, "
"otherwise will contain a comma separated list of not matching logs",
Direction.Output)
return
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')
# 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')
# General options
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):
"""
Declare properties
"""
self.declareProperty('DataDistribution', '', direction = Direction.Input,
doc='Name of the input workspace or file path')
self.declareProperty('Background', '', direction = Direction.Input,
doc='Name of the background workspace or file path')
self.declareProperty("ScaleFactor", 1., FloatBoundedValidator(),
doc="Scaling factor [Default: 1]")
self.declareProperty("Constant", 0., FloatBoundedValidator(),
doc="Additive constant [Default:0]")
self.declareProperty(FileProperty("OutputDirectory","", FileAction.OptionalDirectory),
doc="Directory to write the output files in [optional]")
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", "", Direction.Output),
doc="Workspace containing data from detectors")
return
def PyInit(self):
validators = CompositeValidator()
validators.add(HistogramValidator(True))
validators.add(CommonBinsValidator())
self.declareProperty(
MatrixWorkspaceProperty(name='InputWorkspace',
defaultValue='',
direction=Direction.Input,
validator=validators),
doc=
'Input MatrixWorkspace containing the reduced inelastic neutron spectrum in (Q,E) space.'
)
self.declareProperty(name='Temperature',
defaultValue=300.,
validator=FloatBoundedValidator(lower=0),
doc='Sample temperature in Kelvin.')
self.declareProperty(
name='MeanSquareDisplacement',
defaultValue=0.,
validator=FloatBoundedValidator(lower=0),
doc='Average mean square displacement in Angstrom^2.')
self.declareProperty(
name='QSumRange',
defaultValue='0,Qmax',
doc='Range in Q (in Angstroms^-1) to sum data over.')
self.declareProperty(
name='EnergyBinning',
defaultValue='0,Emax/50,Emax*0.9',
doc='Energy binning parameters [Emin, Estep, Emax] in meV.')
self.declareProperty(
name='Wavenumbers',
defaultValue=False,
doc='Should the output be in Wavenumbers (cm^-1)?')
self.declareProperty(
name='StatesPerEnergy',
defaultValue=False,
doc=
'Should the output be in states per unit energy rather than mb/sr/fu/energy?\n'
+
'(Only for pure elements, need to set the sample material information)'
)
self.declareProperty(MatrixWorkspaceProperty(
name='OutputWorkspace',
defaultValue='',
direction=Direction.Output),
doc='Output workspace name.')
def test_construction_with_lower_sets_only_lower(self):
validator = FloatBoundedValidator()
lower = 1.4
validator.setLower(lower)
self.assertEqual(validator.hasLower(), True)
self.assertFalse(validator.hasUpper())
self.assertEqual(validator.lower(), lower)
def PyInit(self):
# Input
self.declareProperty(
StringArrayProperty(name="PeakWorkspaces",
direction=Direction.Input,
validator=ADSValidator()),
doc='List of peak workspaces to use (must be more than'
' two peaks workspaces and each must contain at least 6 peaks.')
positiveFloatValidator = FloatBoundedValidator(lower=0.0)
angleValidator = FloatBoundedValidator(lower=0.0, upper=180.0)
self.declareProperty(name="a",
defaultValue=-1.0,
direction=Direction.Input,
validator=positiveFloatValidator,
doc="Lattice parameter a")
self.declareProperty(name="b",
defaultValue=-1.0,
direction=Direction.Input,
validator=positiveFloatValidator,
doc="Lattice parameter b")
self.declareProperty(name="c",
defaultValue=-1.0,
direction=Direction.Input,
validator=positiveFloatValidator,
doc="Lattice parameter c")
self.declareProperty(name="alpha",
defaultValue=-1.0,
direction=Direction.Input,
validator=angleValidator,
doc="Lattice angle alpha")
self.declareProperty(name="beta",
defaultValue=-1.0,
direction=Direction.Input,
validator=angleValidator,
doc="Lattice angle beta")
self.declareProperty(name="gamma",
defaultValue=-1.0,
direction=Direction.Input,
validator=angleValidator,
doc="Lattice angle gamma")
self.declareProperty(name="Tolerance",
defaultValue=0.15,
direction=Direction.Input,
validator=positiveFloatValidator,
doc="Tolerance to index peaks in in H,K and L")
def test_construction_with_upper_sets_only_upper(self):
validator = FloatBoundedValidator()
upper = 5.4
validator.setUpper(upper)
self.assertEqual(validator.hasUpper(), True)
self.assertEqual(validator.hasLower(), False)
self.assertEqual(validator.upper(), upper)
def PyInit(self):
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
positiveFloat = FloatBoundedValidator(lower=0)
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
optional=PropertyMode.Mandatory,
direction=Direction.Input),
doc='Input workspace.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The output of the algorithm.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(
ITableWorkspaceProperty(name=common.PROP_EPP_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Mandatory),
doc='Table workspace containing results from the FindEPP algorithm.'
)
self.declareProperty(
name=common.PROP_DWF_CORRECTION,
defaultValue=common.DWF_ON,
validator=StringListValidator([common.DWF_ON, common.DWF_OFF]),
direction=Direction.Input,
doc=
'Enable or disable the correction for the Debye-Waller factor for '
+ common.PROP_OUTPUT_WS + '.')
self.declareProperty(
name=common.PROP_TEMPERATURE,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
direction=Direction.Input,
doc='Experimental temperature (Vanadium ' +
'reduction type only) for the Debye-Waller correction, in Kelvins.'
)
self.setPropertySettings(
common.PROP_TEMPERATURE,
EnabledWhenProperty(common.PROP_DWF_CORRECTION,
PropertyCriterion.IsDefault))
def test_constructor_sets_both_Exclusive_boundary_values_correctly(self):
validator = FloatBoundedValidator(1.3, 2.6, True)
self.assertTrue(validator.hasLower())
self.assertEquals(validator.lower(), 1.3)
self.assertTrue(validator.hasUpper())
self.assertEquals(validator.upper(), 2.6)
self.assertTrue(validator.isLowerExclusive())
self.assertTrue(validator.isUpperExclusive())
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
mustBePositive = FloatBoundedValidator(lower=0)
# Properties.
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='A workspace to which to apply the corrections.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The corrected workspace.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator(
[utils.Cleanup.ON, utils.Cleanup.OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to print in the logs.')
self.declareProperty(
MatrixWorkspaceProperty(name=common.PROP_EC_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc=
'An empty container workspace for subtraction from the input workspace.'
)
self.declareProperty(
name=common.PROP_EC_SCALING,
defaultValue=1.0,
validator=mustBePositive,
direction=Direction.Input,
doc=
'A multiplier (transmission, if no self shielding is applied) for the empty container.'
)
self.declareProperty(
MatrixWorkspaceProperty(
name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A workspace containing the self shielding correction factors.'
)
def test_composite_validator_with_or_relation(self):
validation = CompositeValidator([FloatBoundedValidator(lower=5, upper=10),
FloatBoundedValidator(lower=15, upper=20)],
relation=CompositeRelation.OR)
test_alg = self._create_test_algorithm(validation)
prop = test_alg.getProperty("Input")
self.assertNotEquals(prop.isValid, "")
test_alg.setProperty("Input", 6.8)
self.assertEqual(prop.isValid, "")
test_alg.setProperty("Input", 17.3)
self.assertEqual(prop.isValid, "")
self.assertRaises(ValueError, test_alg.setProperty, "Input", 3.0)
self.assertRaises(ValueError, test_alg.setProperty, "Input", 13.0)
self.assertRaises(ValueError, test_alg.setProperty, "Input", 23.0)
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
positiveFloat = FloatBoundedValidator(lower=0., exclusive=True)
self.declareProperty(
MatrixWorkspaceProperty(
Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc='A reflectivity workspace in wavelength to be converted to Q.')
self.declareProperty(MatrixWorkspaceProperty(
Prop.OUTPUT_WS, defaultValue='', direction=Direction.Output),
doc='The input workspace in momentum transfer.')
self.declareProperty(Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator(
[SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=common.WSCleanup.ON,
validator=StringListValidator(
[common.WSCleanup.ON, common.WSCleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.REFLECTED_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc=
'A non-summed reflected beam workspace, needed for Q resolution calculation.'
)
self.declareProperty(
MatrixWorkspaceProperty(
Prop.DIRECT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc=
'A non-summed direct beam workspace, needed for Q resolution calculation.'
)
self.declareProperty(
Prop.POLARIZED,
defaultValue=False,
doc=
'True if input workspace has been corrected for polarization efficiencies.'
)
self.declareProperty(
Prop.GROUPING_FRACTION,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
doc=
'If set, group the output by steps of this fraction multiplied by Q resolution'
)
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(name='DSpacing',
defaultValue=2.8589,
validator=FloatBoundedValidator(lower=2, upper=2.95),
doc="Position of (111) reflection in dSpacing",
direction=Direction.Input)
self.declareProperty(name='T',
defaultValue=300.0,
validator=FloatBoundedValidator(lower=100),
doc="Sample temperature in K",
direction=Direction.Input)
self.declareProperty(name='TargetPressure',
defaultValue=0.0,
validator=FloatBoundedValidator(lower=0),
doc="Optional: search for (111) position for a given pressure (GPa) and temperature, "
"leave at default value to disable.")
self.declareProperty(ITableWorkspaceProperty(name='OutputWorkspace',
direction=Direction.Output,
defaultValue='LeadPressureCalcResults'),
doc='Name of Output Table workspace holding the values')
def PyInit(self):
self.declareProperty(MatrixWorkspaceProperty(
"InputWorkspace", '', direction=Direction.Input),
doc='The main input workspace.')
self.declareProperty(MatrixWorkspaceProperty(
"CalibrationWorkspace",
'',
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='The calibration (vandiaum) workspace.')
self.declareProperty(MatrixWorkspaceProperty(
"BackgroundWorkspace",
'',
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='The background workspace to be subtracted.')
self.declareProperty(
"BackgroundScale",
1.0,
validator=FloatBoundedValidator(0.0),
doc=
"The background will be scaled by this number before being subtracted."
)
self.declareProperty(
MaskWorkspaceProperty("MaskWorkspace",
'',
optional=PropertyMode.Optional,
direction=Direction.Input),
doc='The mask from this workspace will be applied before reduction'
)
self.copyProperties('ConvertSpectrumAxis', ['Target', 'EFixed'])
self.copyProperties('ResampleX',
['XMin', 'XMax', 'NumberBins', 'LogBinning'])
self.declareProperty('NormaliseBy', 'Monitor',
StringListValidator(['None', 'Time', 'Monitor']),
"Normalise to monitor or time. ")
self.declareProperty(
'MaskAngle', Property.EMPTY_DBL,
"Phi angle above which will be masked. See :ref:`MaskAngle <algm-MaskAngle>` for details."
)
self.declareProperty(MatrixWorkspaceProperty(
"OutputWorkspace", "", direction=Direction.Output),
doc="Output Workspace")
def PyInit(self):
self.declareProperty(
WorkspaceProperty(name='InputWorkspace', defaultValue='', direction=Direction.Input),
'Workspace with peaks to be identified')
self.declareProperty(
ITableWorkspaceProperty(name='PeakGuessTable',
defaultValue='peak_guess',
direction=Direction.Input),
'Table containing the guess for the peak position')
self.declareProperty('CentreTolerance',
1.0,
doc='Tolerance value used in looking for peak centre',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('EstimatedPeakSigma',
3.0,
doc='Estimate of the peak half width',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('MinPeakSigma',
0.1,
doc='Minimum value for the standard deviation of a peak',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('MaxPeakSigma',
30.0,
doc='Maximum value for the standard deviation of a peak',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('EstimateFitWindow',
True,
doc='If checked, algorithm attempts to calculate number of data points to use from'
' EstimatePeakSigma, if unchecked algorithm will use FitWindowSize argument')
self.declareProperty('FitWindowSize',
5,
doc='Number of data point used to fit peaks, minimum allowed value is 5, '
'value must be an odd number ',
validator=IntBoundedValidator(lower=5))
self.declareProperty('GeneralFitTolerance',
0.1,
doc='Tolerance for the constraint in the general fit',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('RefitTolerance',
0.001,
doc='Tolerance for the constraint in the refitting',
validator=FloatBoundedValidator(lower=0.0))
# Output table
self.declareProperty(
ITableWorkspaceProperty(name='PeakProperties',
defaultValue='peak_table',
direction=Direction.Output),
'Table containing the properties of the peaks')
self.declareProperty(
ITableWorkspaceProperty(name='RefitPeakProperties',
defaultValue='refit_peak_table',
direction=Direction.Output),
'Table containing the properties of the peaks that had to be fitted twice as the first'
'time the error was unreasonably large')
self.declareProperty(
ITableWorkspaceProperty(name='FitCost',
defaultValue='fit_cost',
direction=Direction.Output),
'Table containing the value of both chi2 and poisson cost functions for the fit')
def test_construction_with_upper_sets_only_upper(self):
validator = FloatBoundedValidator()
upper = 5.4
validator.setUpper(upper)
self.assertEquals(validator.hasUpper(), True)
self.assertEquals(validator.hasLower(), False)
self.assertEquals(validator.upper(), upper)
def test_construction_with_lower_sets_only_lower(self):
validator = FloatBoundedValidator()
lower = 1.4
validator.setLower(lower)
self.assertEquals(validator.hasLower(), True)
self.assertFalse(validator.hasUpper())
self.assertEquals(validator.lower(), lower)
def PyInit(self):
self.declareProperty(MultipleFileProperty('Run', extensions=['nxs']),
doc='File path of run(s).')
self.declareProperty(FileProperty('CalibrationFile', '',
action=FileAction.OptionalLoad, extensions=['nxs']),
doc='File containing the detector efficiencies.')
self.declareProperty(FileProperty('ROCCorrectionFile', '',
action=FileAction.OptionalLoad, extensions=['nxs']),
doc='File containing the radial oscillating collimator (ROC) corrections.')
self.declareProperty(name='NormaliseTo',
defaultValue='None',
validator=StringListValidator(['None', 'Time', 'Monitor', 'ROI']),
doc='Normalise to time, monitor or ROI counts.')
thetaRangeValidator = FloatArrayOrderedPairsValidator()
self.declareProperty(FloatArrayProperty(name='ROI', values=[0, 153.6], validator=thetaRangeValidator),
doc='Regions of interest for normalisation [in scattering angle in degrees].')
normaliseToROI = VisibleWhenProperty('NormaliseTo', PropertyCriterion.IsEqualTo, 'ROI')
self.setPropertySettings('ROI', normaliseToROI)
self.declareProperty(name='Observable',
defaultValue='sample.temperature',
doc='Scanning observable, a Sample Log entry.')
self.declareProperty(name='SortObservableAxis',
defaultValue=False,
doc='Whether or not to sort the scanning observable axis.')
self.declareProperty(name='ScanAxisBinWidth', defaultValue=0., validator=FloatBoundedValidator(lower=0.),
doc='Rebin the observable axis to this width. Default is to not rebin.')
self.declareProperty(name='CropNegative2Theta', defaultValue=True,
doc='Whether or not to crop out the bins corresponding to negative scattering angle.')
self.declareProperty(name='ZeroCountingCells', defaultValue='Interpolate',
validator=StringListValidator(['Crop','Interpolate','Leave']),
doc='Crop out the zero counting cells or interpolate the counts from the neighbours.')
self.declareProperty(name='Unit',
defaultValue='ScatteringAngle',
validator=StringListValidator(['ScatteringAngle', 'MomentumTransfer', 'dSpacing']),
doc='The unit of the reduced diffractogram.')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Output workspace containing the reduced data.')
def invalid_init(self, input_case):
if input_case == "String List":
self.declareAttribute("StringAtt", "error",
StringListValidator(["filename", "test"]))
elif input_case == "Float Bounded":
self.declareAttribute("FloatAtt", 10.0,
FloatBoundedValidator(0.0, 5.0))
elif input_case == "Array Bounded":
self.declareAttribute("ListAtt", [1.0, 2.0, 3.0, 10.0],
FloatArrayBoundedValidator(0.0, 5.0))
elif input_case == "String Contains":
self.declareAttribute("StringContainsAtt", "error",
StringContainsValidator(["Contains"]))
def PyInit(self):
self.declareProperty(
WorkspaceProperty(name='InputWorkspace',
defaultValue='',
direction=Direction.Input),
'Workspace with peaks to be identified')
self.declareProperty(
ITableWorkspaceProperty(name='PeakGuessTable',
defaultValue='peak_guess',
direction=Direction.Input),
'Table containing the guess for the peak position')
self.declareProperty(
'CentreTolerance',
1.0,
doc='Tolerance value used in looking for peak centre',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty('EstimatedPeakSigma',
3.0,
doc='Estimate of the peak half width',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty(
'MinPeakSigma',
0.1,
doc='Minimum value for the standard deviation of a peak',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty(
'MaxPeakSigma',
30.0,
doc='Maximum value for the standard deviation of a peak',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty(
'GeneralFitTolerance',
0.1,
doc='Tolerance for the constraint in the general fit',
validator=FloatBoundedValidator(lower=0.0))
self.declareProperty(
'RefitTolerance',
0.001,
doc='Tolerance for the constraint in the refitting',
validator=FloatBoundedValidator(lower=0.0))
# Output table
self.declareProperty(
ITableWorkspaceProperty(name='PeakProperties',
defaultValue='peak_table',
direction=Direction.Output),
'Table containing the properties of the peaks')
self.declareProperty(
ITableWorkspaceProperty(name='RefitPeakProperties',
defaultValue='refit_peak_table',
direction=Direction.Output),
'Table containing the properties of the peaks that had to be fitted twice as the first'
'time the error was unreasonably large')
self.declareProperty(
ITableWorkspaceProperty(name='FitCost',
defaultValue='fit_cost',
direction=Direction.Output),
'Table containing the value of both chi2 and poisson cost functions for the fit'
)
def PyInit(self):
"""Initialize the algorithm's input and output properties."""
inputWorkspaceValidator = CompositeValidator()
inputWorkspaceValidator.add(InstrumentValidator())
inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
scalingFactor = FloatBoundedValidator(lower=0, upper=1)
# Properties.
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_INPUT_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input),
doc='Input workspace.')
self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The output of the algorithm.')
self.declareProperty(name=common.PROP_CLEANUP_MODE,
defaultValue=common.CLEANUP_ON,
validator=StringListValidator(
[common.CLEANUP_ON, common.CLEANUP_OFF]),
direction=Direction.Input,
doc='What to do with intermediate workspaces.')
self.declareProperty(
name=common.PROP_SUBALG_LOGGING,
defaultValue=common.SUBALG_LOGGING_OFF,
validator=StringListValidator(
[common.SUBALG_LOGGING_OFF, common.SUBALG_LOGGING_ON]),
direction=Direction.Input,
doc='Enable or disable subalgorithms to ' + 'print in the logs.')
self.declareProperty(MatrixWorkspaceProperty(
name=common.PROP_EC_WS,
defaultValue='',
validator=inputWorkspaceValidator,
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='Reduced empty container workspace.')
self.declareProperty(name=common.PROP_EC_SCALING,
defaultValue=1.0,
validator=scalingFactor,
direction=Direction.Input,
doc='Scaling factor (transmission, if no self ' +
'shielding is applied) for empty container.')
self.declareProperty(
MatrixWorkspaceProperty(
name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
defaultValue='',
direction=Direction.Input,
optional=PropertyMode.Optional),
doc='A workspace containing self shielding correction factors.')
def PyInit(self):
# 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):
self.declareProperty(MatrixWorkspaceProperty(
'InputWorkspace',
defaultValue='',
validator=InstrumentValidator(),
direction=Direction.Input),
doc='The input workspace')
self.declareProperty('BeamRadius', 0.1,
FloatBoundedValidator(lower=0.),
'The radius of the beam [m]')
self.declareProperty(MatrixWorkspaceProperty(
'OutputWorkspace', defaultValue='', direction=Direction.Output),
doc='The output workspace')
def PyInit(self):
validator = CompositeValidator()
validator.add(WorkspaceUnitValidator('Wavelength'))
validator.add(HistogramValidator())
validator.add(InstrumentValidator())
self.declareProperty(MatrixWorkspaceProperty('InputWorkspace', defaultValue='',
validator = validator,
direction = Direction.Input),
doc='The input workspace in wavelength')
self.declareProperty('BeamRadius', 0.1, FloatBoundedValidator(lower=0.), 'The radius of the beam [m]')
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace',
defaultValue='',
direction = Direction.Output),
doc='The output workspace')
def PyInit(self):
"""Initialize the input and output properties of the algorithm."""
positiveFloat = FloatBoundedValidator(lower=0., exclusive=True)
self.declareProperty(
MatrixWorkspaceProperty(
Prop.INPUT_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc='A reflectivity workspace in wavelength to be converted to Q.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.OUTPUT_WS,
defaultValue='',
direction=Direction.Output),
doc='The input workspace in momentum transfer.')
self.declareProperty(
Prop.SUBALG_LOGGING,
defaultValue=SubalgLogging.OFF,
validator=StringListValidator([SubalgLogging.OFF, SubalgLogging.ON]),
doc='Enable or disable child algorithm logging.')
self.declareProperty(
Prop.CLEANUP,
defaultValue=utils.Cleanup.ON,
validator=StringListValidator([utils.Cleanup.ON, utils.Cleanup.OFF]),
doc='Enable or disable intermediate workspace cleanup.')
self.declareProperty(
MatrixWorkspaceProperty(
Prop.DIRECT_FOREGROUND_WS,
defaultValue='',
direction=Direction.Input,
validator=WorkspaceUnitValidator('Wavelength')),
doc='Summed direct beam workspace.')
self.declareProperty(
Prop.GROUPING_FRACTION,
defaultValue=Property.EMPTY_DBL,
validator=positiveFloat,
doc='If set, group the output by steps of this fraction multiplied by Q resolution')
def test_upper_only_keyword_in_constructor(self):
validator = FloatBoundedValidator(upper=5.5)
self.assertFalse(validator.hasLower())
self.assertTrue(validator.hasUpper())
self.assertEquals(validator.upper(), 5.5)