Commit 54f3078f authored by Whitfield, Ross's avatar Whitfield, Ross
Browse files

Update integration_test_MDE.py

parent 8a1decb2
......@@ -157,19 +157,20 @@ CalculateStructureFactors=True,
OutputWorkspace='predict')
FindPeaksMD(InputWorkspace='mde',
PeakDistanceThreshold=0.25,
#DensityThresholdFactor=10000,
CalculateGoniometerForCW=True,
OutputWorkspace='peaks2')
FilterPeaks(InputWorkspace='peaks2', OutputWorkspace='peaks2_filtered', FilterVariable='QMod', Operator='>', FilterValue=1.5)
IndexPeaks(PeaksWorkspace='peaks2', RoundHKLs=False)
ol=mtd['peaks'].sample().getOrientedLattice()
a=ol.a();
b=ol.b()
c=ol.c()
ol.seta(a*4)
ol.setb(b*4)
ol.setc(c*4)
PredictPeaks(InputWorkspace='peaks',
MinDSpacing=0.1,
CalculateGoniometerForCW=True,
Wavelength=1.488,
MaxAngle=0,
ReflectionCondition='Hexagonally centred, reverse',
OutputWorkspace='predict2')
LoadWANDSCD(IPTS=21362, RunNumbers='120754-122554', Grouping='4x4', OutputWorkspace='data')
ConvertWANDSCDtoMDE(InputWorkspace='data', OutputWorkspace='mde')
FindPeaksMD(InputWorkspace='mde', PeakDistanceThreshold=0.25, CalculateGoniometerForCW=True, OutputWorkspace='peaks2')
FilterPeaks(InputWorkspace='peaks2', OutputWorkspace='peaks2_filtered', FilterVariable='QMod', FilterValue=1.5, Operator='>')
FindUBUsingLatticeParameters(PeaksWorkspace='peaks2_filtered', a=4, b=4, c=4, alpha=90, beta=90, gamma=120)
OptimizeLatticeForCellType(PeaksWorkspace='peaks2_filtered', CellType='Hexagonal', Apply=True)
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