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from mantid.simpleapi import *
from mantid.api import *
from mantid.kernel import *
import mantid
class VesuvioResolution(PythonAlgorithm):
def category(self):
return 'Inelastic'
def summary(self):
return 'Calculates the resolution function for VESUVIO'
def PyInit(self):
self.declareProperty(WorkspaceProperty(name='Sample',
defaultValue='',
direction=Direction.Input),
doc='Sample workspace')
self.declareProperty(name='SpectraIndex', defaultValue=0,
doc='Spectra index to use for resolution')
self.declareProperty(name='Mass', defaultValue=100.0,
doc='The mass defining the recoil peak in AMU')
self.declareProperty(name='OutputMode', defaultValue='TOF',
validator=StringListValidator(['TOF', 'y-Space']),
doc='')
self.declareProperty(WorkspaceProperty(name='OutputWorkspace',
defaultValue='',
direction=Direction.Output),
doc='Output resolution workspace')
def PyExec(self):
sample_ws = self.getPropertyValue('Sample')
out_ws = self.getPropertyValue('OutputWorkspace')
spectrum_index = self.getProperty('SpectraIndex').value
mass = self.getProperty('Mass').value
output_mode = self.getPropertyValue('OutputMode')
function = 'name=VesuvioResolution, Mass=%f' % mass
fit_naming_stem = '__vesuvio_res_fit'
# Execute the resolution function using fit.
# Functions can't currently be executed as stand alone objects,
# so for now we will run fit with zero iterations to achieve the same result.
fit = mantid.api.AlgorithmManager.createUnmanaged('Fit')
fit.initialize()
fit.setChild(True)
fit.setLogging(False)
mantid.simpleapi._set_properties(fit, function, sample_ws, MaxIterations=0,
CreateOutput=True, Output=fit_naming_stem, WorkspaceIndex=spectrum_index,
OutputCompositeMembers=True)
fit.execute()
fit_ws = fit.getProperty("OutputWorkspace").value
# Extract just the function values from the fit spectrum
extract = mantid.api.AlgorithmManager.createUnmanaged('ExtractSingleSpectrum')
extract.initialize()
extract.setChild(True)
extract.setLogging(False)
extract.setProperty("InputWorkspace", fit_ws)
extract.setProperty("OutputWorkspace", out_ws)
extract.setProperty("WorkspaceIndex", 1)
extract.execute()
out_ws = extract.getProperty('OutputWorkspace').value
# Convert to y-Space if needed
if output_mode == 'y-Space':
pass
self.setProperty('OutputWorkspace', out_ws)
AlgorithmFactory.subscribe(VesuvioResolution)