HRPDPowderDiffraction.py

import stresstesting
from mantid.simpleapi import *

''' Simply tests that our LoadRaw and LoadISISNexus algorithms produce the same workspace'''
class HRPDPowderDiffraction(stresstesting.MantidStressTest):
    
  def requiredFiles(self):
    return ["HRP39191.RAW", "hrpd_new_072_01_corr.cal", "HRP39187.RAW", 'HRPDPowderDiffraction.nxs']

  def runTest(self):
    #Load the Vanadium
    LoadRaw(Filename="HRP39191.RAW",OutputWorkspace="Vanadium")
    #mask out the vanadium peaks
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="19970",XMax="20140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="39970",XMax="40140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="59970",XMax="60140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="79970",XMax="80140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="99970",XMax="100140")
    #align vanadium detectors
    AlignDetectors(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",CalibrationFile="hrpd_new_072_01_corr.cal")
    #normalise by current
    NormaliseByCurrent(InputWorkspace="Vanadium",OutputWorkspace="Vanadium")
    #correct for solid angle
    SolidAngle(InputWorkspace="Vanadium",OutputWorkspace="Corr")
    Divide(LHSWorkspace="Vanadium",RHSWorkspace="Corr",OutputWorkspace="Vanadium")
    #Multiply the solid angle by the integrated vanadium flux between 1.4 and 3 Angstrom
    ConvertUnits(InputWorkspace="Vanadium",OutputWorkspace="flux",Target="Wavelength")
    Integration(InputWorkspace="flux",OutputWorkspace="flux",RangeLower="1.4",RangeUpper="3")
    Multiply(LHSWorkspace="Corr",RHSWorkspace="flux",OutputWorkspace="Corr")
    #adjust the correction down by a factor of 1000
    CreateSingleValuedWorkspace(OutputWorkspace="Sc",DataValue="1000")
    Divide(LHSWorkspace="Corr",RHSWorkspace="Sc",OutputWorkspace="Corr")
    #Load the Vanadium - a second time
    LoadRaw(Filename="HRP39191.RAW",OutputWorkspace="Vanadium")
    #mask out the vanadium peaks 
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="19970",XMax="20140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="39970",XMax="40140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="59970",XMax="60140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="79970",XMax="80140")
    MaskBins(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",XMin="99970",XMax="100140")
    #align vanadium detectors
    AlignDetectors(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",CalibrationFile="hrpd_new_072_01_corr.cal")
    #normalise by current
    NormaliseByCurrent(InputWorkspace="Vanadium",OutputWorkspace="Vanadium")
    #correct by accumulated correction - solid angle/(1000*flux(1.4 - 3 Angstrom))
    Divide(LHSWorkspace="Vanadium",RHSWorkspace="Corr",OutputWorkspace="Vanadium")
    #Load the vanadium empty
    LoadRaw(Filename="HRP39187.RAW",OutputWorkspace="VEmpty")
    #mask out the vanadium peaks
    MaskBins(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",XMin="19970",XMax="20140")
    MaskBins(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",XMin="39970",XMax="40140")
    MaskBins(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",XMin="59970",XMax="60140")
    MaskBins(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",XMin="79970",XMax="80140")
    MaskBins(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",XMin="99970",XMax="100140")
    #align vanadium empty detectors
    AlignDetectors(InputWorkspace="VEmpty",OutputWorkspace="VEmpty",CalibrationFile="hrpd_new_072_01_corr.cal")
    #correct by accumulated correction - solid angle/(1000*flux(1.4 - 3 Angstrom))
    Divide(LHSWorkspace="VEmpty",RHSWorkspace="Corr",OutputWorkspace="VEmpty")
    #normalise by current
    NormaliseByCurrent(InputWorkspace="VEmpty",OutputWorkspace="VEmpty")
    #Subtract Vanadium empty from the Vanadium
    Minus(LHSWorkspace="Vanadium",RHSWorkspace="VEmpty",OutputWorkspace="Vanadium")
    #Convert to wavelength
    ConvertUnits(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",Target="Wavelength")
    #Correct for cylinderAbsorption
    CylinderAbsorption(InputWorkspace="Vanadium",OutputWorkspace="Transmission",CylinderSampleHeight="2",CylinderSampleRadius="0.4",AttenuationXSection="5.1",ScatteringXSection="5.08",SampleNumberDensity="0.072",NumberOfSlices="10",NumberOfAnnuli="10",NumberOfWavelengthPoints="100")
    Divide(LHSWorkspace="Vanadium",RHSWorkspace="Transmission",OutputWorkspace="Vanadium")
    #convert to dspacing and focuss
    ConvertUnits(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",Target="dSpacing")
    DiffractionFocussing(InputWorkspace="Vanadium",OutputWorkspace="Vanadium",GroupingFileName="hrpd_new_072_01_corr.cal")

  def validate(self):
    # Fitting parameters not saved to ParameterMap
    self.disableChecking.append("Instrument")
    return 'Vanadium','HRPDPowderDiffraction.nxs'