def test_creation_with_constructor_and_list(self):
"""
Tests that a composite validator created with the constructor method
"""
validation = CompositeValidator(
[FloatBoundedValidator(lower=5),
FloatBoundedValidator(upper=10)])
self._do_validation_test(validation)
def test_creation_with_add_succeeds_correctly_in_algorithm(self):
"""
Tests that a composite validator created with the add
method validates correctly
"""
validation = CompositeValidator()
validation.add(FloatBoundedValidator(lower=5))
validation.add(FloatBoundedValidator(upper=10))
self._do_validation_test(validation)
def PyInit(self):
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):
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):
validators = CompositeValidator()
validators.add(HistogramValidator(True))
validators.add(CommonBinsValidator())
self.declareProperty(
MatrixWorkspaceProperty(name='InputWorkspace',
defaultValue='',
direction=Direction.Input,
validator=validators),
doc=
'Input MatrixWorkspace containing the reduced inelastic neutron spectrum in (Q,E) or (2theta,E) space.'
)
self.declareProperty(name='Temperature',
defaultValue=300.,
validator=FloatBoundedValidator(lower=0),
doc='Sample temperature in Kelvin.')
self.declareProperty(
name='MeanSquareDisplacement',
defaultValue=0.,
validator=FloatBoundedValidator(lower=0),
doc='Average mean square displacement in Angstrom^2.')
self.declareProperty(
name='QSumRange',
defaultValue='0,Qmax',
doc='Range in Q (in Angstroms^-1) to sum data over.')
self.declareProperty(
name='EnergyBinning',
defaultValue='0,Emax/50,Emax*0.9',
doc=
'Energy binning parameters [Emin, Emax] or [Emin, Estep, Emax] in meV.'
)
self.declareProperty(
name='Wavenumbers',
defaultValue=False,
doc='Should the output be in Wavenumbers (cm^-1)?')
self.declareProperty(
name='StatesPerEnergy',
defaultValue=False,
doc=
'Should the output be in states per unit energy rather than mb/sr/fu/energy?\n'
+
'(Only for pure elements, need to set the sample material information)'
)
self.declareProperty(MatrixWorkspaceProperty(
name='OutputWorkspace',
defaultValue='',
direction=Direction.Output),
doc='Output workspace name.')
self.declareProperty(
name='TwoThetaSumRange',
defaultValue='Twothetamin, Twothetamax',
doc='Range in 2theta (in degrees) to sum data over.')
def PyInit(self):
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):
""" 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(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(
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):
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):
""" 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 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):
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')
