| 1 | def calculate_resolution(input_data, mass, index=0): |
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| 2 | """ |
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| 3 | Run the VesuvioResolution function to produce a workspace |
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| 4 | with the value of the Vesuvio resolution. |
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| 5 | |
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| 6 | @param input_data The original TOF data |
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| 7 | @param mass The mass defining the recoil peak in AMU |
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| 8 | """ |
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| 9 | from mantid.simpleapi import AlgorithmManager, mtd |
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| 10 | |
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| 11 | name_stem = str(input_data) |
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| 12 | output_name = name_stem + "_resolution" |
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| 13 | function = "name=VesuvioResolution, Mass=%f" % mass |
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| 14 | |
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| 15 | # execute the resolution function using fit. |
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| 16 | # functions can't currently be executed as stand alone objects, |
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| 17 | # so for now we will run fit with zero iterations to achieve the same result. |
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| 18 | fit = mantid.api.AlgorithmManager.createUnmanaged('Fit') |
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| 19 | fit.initialize() |
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| 20 | fit.setChild(True) |
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| 21 | fit.setAlwaysStoreInADS(True) |
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| 22 | fit.setLogging(False) |
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| 23 | mantid.simpleapi._set_properties(fit, function, input_data, MaxIterations=0, |
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| 24 | CreateOutput=True, Output=name_stem) |
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| 25 | fit.execute() |
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| 26 | |
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| 27 | ExtractSingleSpectrum(name_stem + "_Workspace", WorkspaceIndex=1, OutputWorkspace=output_name) |
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| 28 | |
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| 29 | DeleteWorkspace(name_stem + "_Workspace") |
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| 30 | DeleteWorkspace(name_stem + "_Parameters") |
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| 31 | DeleteWorkspace(name_stem + "_NormalisedCovarianceMatrix") |
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| 32 | |
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| 33 | return mtd[output_name] |
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| 34 | |
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| 35 | |
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| 36 | runs = "14189-14195" |
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| 37 | spectra = "135" |
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| 38 | diff_type="SingleDifference" # Allowed values=Single,Double,Thick |
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| 39 | ip_file = "IP0004_10.par" |
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| 40 | |
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| 41 | raw_ws = LoadVesuvio(Filename=runs, SpectrumList=spectra, |
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| 42 | Mode=diff_type,InstrumentParFile=ip_file) |
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| 43 | raw_ws = CropWorkspace(raw_ws,XMin=50.0,XMax=562.0) |
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| 44 | y_workspace = ConvertToYSpace(raw_ws, Mass=1.0076) |
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| 45 | calculate_resolution(y_workspace, 1.0067, 0) |
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