Update integration_test_MDE.py

integration_test_MDE.py

@@ -16,6 +16,14 @@ ConvertWANDSCDtoQ(InputWorkspace='data',
                   NormalisationWorkspace='norm',
                   OutputWorkspace='Q',
                   BinningDim1='-1,1,21')
+ConvertWANDSCDtoQ(InputWorkspace='data',
+                  NormalisationWorkspace='norm',
+                  Frame='HKL',
+                  OutputWorkspace='HKL',
+                  BinningDim0='-5.01,5.01,501',
+                  BinningDim1='-5.01,5.01,501',
+                  BinningDim2='-0.21,0.81,51')
+
 PredictPeaks(InputWorkspace='Q',
 MinDSpacing=0.1,
 CalculateGoniometerForCW=True,
@@ -44,4 +52,47 @@ ReflectionCondition='Hexagonally centred, reverse',
 CalculateStructureFactors=True,
 OutputWorkspace='predict2')
 
+CopySample(InputWorkspace='peaks',
+OutputWorkspace='data',
+CopyMaterial=False, CopyEnvironment=False, CopyShape=False
+)
+
+
+ConvertWANDSCDtoQ(InputWorkspace='data',
+                  NormalisationWorkspace='norm',
+                  Frame='HKL',
+                  OutputWorkspace='HKL2',
+                  BinningDim0='-5.01,5.01,501',
+                  BinningDim1='-5.01,5.01,501',
+                  BinningDim2='-0.21,0.81,51')
+
+
+
+#PredictFractionalPeaks(Peaks='peaks', FracPeaks='frac', HOffset='0.5,0,0', KOffset='0,0.5,0', LOffset='0,0,0.25')
+
+
+
+FindPeaksMD(InputWorkspace='mde', PeakDistanceThreshold=1, DensityThresholdFactor=1, CalculateGoniometerForCW=True, OutputWorkspace='peaks2')
+IndexPeaks(PeaksWorkspace='peaks2',RoundHKLs=False)
+
+
+PredictPeaks(InputWorkspace='peaks',
+MinDSpacing=0.1,
+CalculateGoniometerForCW=True,
+Wavelength=1.488,
+MaxAngle=0,
+ReflectionCondition='Hexagonally centred, reverse',
+CalculateStructureFactors=True,
+OutputWorkspace='predict2')
+
+
+CloneWorkspace(InputWorkspace='peaks', OutputWorkspace='peaks2')
+
+ol=mtd['peaks2'].sample().getOrientedLattice()
+a=ol.a();
+b=ol.b()
+c=ol.c()
+ol.seta(a*2)
+ol.setb(b*2)
+ol.setc(c*2)