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Algorithm works now perfectly when run via the Algorithms list but th…
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…ere is still an issue when ran from the GUI. This refs #4303
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@JeanBilheux
JeanBilheux committed Mar 28, 2012
1 parent 908e218 commit 0bb5f60
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Showing 2 changed files with 156 additions and 103 deletions.
257 changes: 155 additions & 102 deletions Code/Mantid/Framework/PythonAPI/PythonAlgorithms/RefLReduction.py
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Original file line number Diff line number Diff line change
Expand Up @@ -56,6 +56,9 @@ def PyExec(self):
data_peak = self.getProperty("SignalPeakPixelRange")
data_back = self.getProperty("SignalBackgroundPixelRange")

print 'data_back is'
print data_back

# TOF range to consider
TOFrange = self.getProperty("TOFRange") #microS
# Steps for TOF rebin
Expand Down Expand Up @@ -313,7 +316,7 @@ def PyExec(self):
WorkspaceToMatch=ws_histo_data,
OutputWorkspace=ws_data_bck_1_rebin)

ws_data_bck_2_rebin = ws_data_bck_1 + '_rebin'
ws_data_bck_2_rebin = ws_data_bck_2 + '_rebin'
RebinToWorkspace(WorkspaceToRebin=ws_data_bck_2,
WorkspaceToMatch=ws_histo_data,
OutputWorkspace=ws_data_bck_2_rebin)
Expand All @@ -330,6 +333,14 @@ def PyExec(self):
RHSWorkspace=ws_data_bck+'_scale',
OutputWorkspace=ws_data)

mtd.deleteWorkspace(ws_data_bck)
mtd.deleteWorkspace(ws_data_bck+'_scale')
mtd.deleteWorkspace(ws_data_bck_1_rebin)
mtd.deleteWorkspace(ws_data_bck_2_rebin)
mtd.deleteWorkspace(ws_data_bck_1)
mtd.deleteWorkspace(ws_data_bck_2)
mtd.deleteWorkspace(ws_histo_data)

# WeightedMean(ws_data_bck_1, ws_data_bck_2, ws_data_bck)

# Minus(ws_integrated_data, ws_data_bck, OutputWorkspace=ws_data)
Expand Down Expand Up @@ -362,19 +373,25 @@ def PyExec(self):

else:

ws_integrated_data = "_IntegratedDataWks"
print '-> keep only range of pixel of interest'
wks_utility.createIntegratedWorkspace(mtd[ws_histo_data],
ws_integrated_data,
fromXpixel=Xrange[0],
toXpixel=Xrange[1],
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY)

ConvertToHistogram(InputWorkspace=ws_integrated_data,
OutputWorkspace=ws_data)
# ws_integrated_data = "_IntegratedDataWks"
# print '-> keep only range of pixel of interest'
# wks_utility.createIntegratedWorkspace(mtd[ws_histo_data],
# ws_integrated_data,
# fromXpixel=Xrange[0],
# toXpixel=Xrange[1],
# fromYpixel=BackfromYpixel,
# toYpixel=BacktoYpixel,
# maxX=maxX,
# maxY=maxY)
#
# ConvertToHistogram(InputWorkspace=ws_integrated_data,
# OutputWorkspace=ws_data)

ConvertToMatrixWorkspace(InputWorkspace=ws_histo_data,
OutputWorkspace=ws_data)

mtd.deleteWorkspace(ws_histo_data)


if (NormFlag):

Expand Down Expand Up @@ -405,28 +422,28 @@ def PyExec(self):
TOFsteps,
TOFrange[1]])

# Keep only range of TOF of interest
CropWorkspace(InputWorkspace=ws_norm_histo_data,
OutputWorkspace=ws_norm_histo_data,
XMin=TOFrange[0], XMax=TOFrange[1])
# # Keep only range of TOF of interest
# CropWorkspace(InputWorkspace=ws_norm_histo_data,
# OutputWorkspace=ws_norm_histo_data,
# XMin=TOFrange[0], XMax=TOFrange[1])

# Normalized by Current (proton charge)
print '-> normalized by current direct beam'
NormaliseByCurrent(InputWorkspace=ws_norm_histo_data,
OutputWorkspace=ws_norm_histo_data)

#Create a new event workspace of only the range of pixel of interest
#background range (along the y-axis) and of only the pixel
#of interest along the x-axis (to avoid the frame effect)
ws_integrated_data = "_IntegratedNormWks"
wks_utility.createIntegratedWorkspace(mtd[ws_norm_histo_data],
ws_integrated_data,
fromXpixel=normXrange[0],
toXpixel=normXrange[1],
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY)
# #Create a new event workspace of only the range of pixel of interest
# #background range (along the y-axis) and of only the pixel
# #of interest along the x-axis (to avoid the frame effect)
# ws_integrated_data = "_IntegratedNormWks"
# wks_utility.createIntegratedWorkspace(mtd[ws_norm_histo_data],
# ws_integrated_data,
# fromXpixel=normXrange[0],
# toXpixel=normXrange[1],
# fromYpixel=BackfromYpixel,
# toYpixel=BacktoYpixel,
# maxX=maxX,
# maxY=maxY)

ws_data_bck = "_NormBckWks"
ws_norm_rebinned = "_NormRebinnedWks"
Expand Down Expand Up @@ -509,70 +526,94 @@ def PyExec(self):
ConvertToMatrixWorkspace(InputWorkspace=ws_norm_histo_data,
OutputWorkspace=ws_norm_histo_data)

ws_data_bck = "_DataBckWks"
ws_data_bck_1 = ws_data_bck + "_1"
ws_norm_bck = "_NormBckWks"
ws_norm_bck_1 = ws_norm_bck + "_1"
RefRoi(InputWorkspace=ws_norm_histo_data,
OutputWorkspace=ws_data_bck_1,
OutputWorkspace=ws_norm_bck_1,
NXPixel=maxX,
NYPixel=maxY,
ConvertToQ=False,
IntegrateY=False,
SumPixels=True,
XPixelMin=Xrange[0],
XPixelMax=Xrange[1],
YPixelMin=BackfromYpixel,
YPixelMax=data_peak[0]-1,
XPixelMin=normXrange[0],
XPixelMax=normXrange[1],
YPixelMin=norm_back[0],
YPixelMax=norm_peak[0]-1,
NormalizeSum=True)

ws_data_bck_2 = ws_data_bck + "_2"
ws_norm_bck_2 = ws_norm_bck + "_2"
RefRoi(InputWorkspace=ws_norm_histo_data,
OutputWorkspace=ws_data_bck_2,
OutputWorkspace=ws_norm_bck_2,
NXPixel=maxX,
NYPixel=maxY,
ConvertToQ=False,
IntegrateY=False,
SumPixels=True,
XPixelMin=Xrange[0],
XPixelMax=Xrange[1],
YPixelMin=data_peak[1]+1,
YPixelMax=BacktoYpixel,
XPixelMin=normXrange[0],
XPixelMax=normXrange[1],
YPixelMin=norm_peak[1]+1,
YPixelMax=norm_back[1],
NormalizeSum=True)

ws_data_bck_1_rebin = ws_data_bck_1 + '_rebin'
RebinToWorkspace(WorkspaceToRebin=ws_data_bck_1,
ws_norm_bck_1_rebin = ws_norm_bck_1 + '_rebin'
RebinToWorkspace(WorkspaceToRebin=ws_norm_bck_1,
WorkspaceToMatch=ws_norm_histo_data,
OutputWorkspace=ws_data_bck_1_rebin)
OutputWorkspace=ws_norm_bck_1_rebin)

ws_data_bck_2_rebin = ws_data_bck_1 + '_rebin'
RebinToWorkspace(WorkspaceToRebin=ws_data_bck_2,
ws_norm_bck_2_rebin = ws_norm_bck_2 + '_rebin'
RebinToWorkspace(WorkspaceToRebin=ws_norm_bck_2,
WorkspaceToMatch=ws_norm_histo_data,
OutputWorkspace=ws_data_bck_2_rebin)
OutputWorkspace=ws_norm_bck_2_rebin)

Plus(RHSWorkspace=ws_data_bck_1_rebin,
LHSWorkspace=ws_data_bck_2_rebin,
OutputWorkspace=ws_data_bck)
Scale(InputWorkspace=ws_data_bck,
OutputWorkspace=ws_data_bck+'_scale',
Plus(RHSWorkspace=ws_norm_bck_1_rebin,
LHSWorkspace=ws_norm_bck_2_rebin,
OutputWorkspace=ws_norm_bck)
Scale(InputWorkspace=ws_norm_bck,
OutputWorkspace=ws_norm_bck+'_scale',
Factor=0.5,
Operation="Multiply")

Minus(LHSWorkspace=ws_norm_histo_data,
RHSWorkspace=ws_data_bck+'_scale',
RHSWorkspace=ws_norm_bck+'_scale',
OutputWorkspace=ws_norm_rebinned)

wks_utility.createIntegratedWorkspace(mtd[ws_norm_rebinned],
ws_norm_rebinned,
fromXpixel=normXrange[0],
toXpixel=normXrange[1],
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY)

mtd.deleteWorkspace(ws_norm_bck+'_scale')
mtd.deleteWorkspace(ws_norm_bck_1_rebin)
mtd.deleteWorkspace(ws_norm_bck_2_rebin)
mtd.deleteWorkspace(ws_norm_bck_1)
mtd.deleteWorkspace(ws_norm_bck_2)
mtd.deleteWorkspace(ws_norm_histo_data)

else:





#Create a new event workspace of only the range of pixel of interest
#background range (along the y-axis) and of only the pixel
#of interest along the x-axis (to avoid the frame effect)
ws_integrated_data = "_IntegratedNormWks"
wks_utility.createIntegratedWorkspace(mtd[ws_norm_histo_data],
ws_integrated_data,
fromXpixel=normXrange[0],
toXpixel=normXrange[1],
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY)

RebinToWorkspace(WorkspaceToRebin=ws_integrated_data,
WorkspaceToMatch=ws_data,
OutputWorkspace=ws_norm_rebinned)


mtd.deleteWorkspace(ws_integrated_data)

#Normalization
print '-> Sum spectra'
SumSpectra(InputWorkspace=ws_norm_rebinned,
Expand All @@ -582,7 +623,7 @@ def PyExec(self):
print '-> Divide data by direct beam'
Divide(LHSWorkspace=ws_data,
RHSWorkspace=ws_norm_rebinned,
OutputWorkspace=ws_data)
OutputWorkspace=ws_data+'_tmp')

#This is where I need to move from TOF to Q (not before that)
#now we can convert to Q
Expand All @@ -596,11 +637,11 @@ def PyExec(self):
# print '-> Apply SF'
# ws_data_scaled = wks_utility.applySF(ws_data,
# slitsValuePrecision)
ws_data_scaled = ws_data #REMOVE_ME
ws_data_scaled = ws_data+'_tmp' #REMOVE_ME

if dMD is not None and theta is not None:

_tof_axis = mtd[ws_histo_data].readX(0)
_tof_axis = mtd[ws_data+'_tmp'].readX(0)
_const = float(4) * math.pi * m * dMD / h
sz_tof = numpy.shape(_tof_axis)[0]
_q_axis = zeros(sz_tof-1)
Expand All @@ -612,23 +653,23 @@ def PyExec(self):
_q_axis[t] = _Q*1e-10
q_max = max(_q_axis)

# ws_integrated_data = "_IntegratedDataWks"
# print '-> keep only range of pixel of interest'
# print 'ws_data_scaled: '
# print ws_data_scaled
# wks_utility.createIntegratedWorkspace(mtd[ws_data_scaled],
# ws_integrated_data,
# fromXpixel=Xrange[0],
# toXpixel=Xrange[1],
# fromYpixel=BackfromYpixel,
# toYpixel=BacktoYpixel,
# maxX=maxX,
# maxY=maxY)

ws_integrated_data = ws_data_scaled
ws_integrated_data = "_IntegratedDataWks"
print '-> keep only range of pixel of interest'
wks_utility.createIntegratedWorkspace(mtd[ws_data_scaled],
ws_integrated_data,
fromXpixel=Xrange[0],
toXpixel=Xrange[1],
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY)


# mtd.deleteWorkspace(ws_data_scaled)
# mtd.deleteWorkspace(ws_data)
ws_data_Q = ws_data + '_Q'
print '-> convert to Q'

# wks_utility.convertWorkspaceToQ(ws_data_scaled,
wks_utility.convertWorkspaceToQ(ws_integrated_data,
ws_data_Q,
Expand All @@ -641,6 +682,7 @@ def PyExec(self):
geo_correction=False,
q_binning=[q_min,q_step,q_max])

print '-> replace special values'
mt = mtd[ws_data_Q]
ReplaceSpecialValues(InputWorkspace=ws_data_Q,
NaNValue=0,
Expand All @@ -654,39 +696,50 @@ def PyExec(self):
# if mtd.workspaceExists(output_ws):
# mtd.deleteWorkspace(output_ws)

print '-> sum spectra'
SumSpectra(InputWorkspace=ws_data_Q, OutputWorkspace=output_ws)

#keep only none zero values
mt = mtd[output_ws]
sz = shape(mt.readY(0)[:])[0]
data_x = []
data_y = []
data_y_error = []
for i in range(sz):
_y = mt.readY(0)[i]
# print '_y={0:3f} at i={1:2d}'.format(_y, i)
if _y != 0.:
data_x.append(mt.readX(0)[i])
data_y.append(_y)
data_y_error.append(mt.readE(0)[i])
try:
print '-> keep only non-zeros values'
mt = mtd[output_ws]
sz = shape(mt.readY(0)[:])[0]
data_x = []
data_y = []
data_y_error = []
for i in range(sz):
_y = mt.readY(0)[i]
#print '_y={0:3f} at i={1:2d}'.format(_y, i)
if _y != 0.:
data_x.append(mt.readX(0)[i])
data_y.append(_y)
data_y_error.append(mt.readE(0)[i])

#if at least one non zero value found
if data_x != []:
CreateWorkspace(OutputWorkspace=output_ws,
DataX=data_x,
DataY=data_y,
DataE=data_y_error,
Nspec=1,
UnitX="MomentumTransfer")
#if at least one non zero value found
if data_x != []:
print '-> cleanup data (remove 0s)'
CreateWorkspace(OutputWorkspace=output_ws,
DataX=data_x,
DataY=data_y,
DataE=data_y_error,
Nspec=1,
UnitX="MomentumTransfer")
except:
pass

#removing first and last Q points (edge effect)
mt=mtd[output_ws]
x_axis = mt.readX(0)[:]
qmin = x_axis[1]
qmax = x_axis[-2]
CropWorkspace(InputWorkspace=output_ws,
OutputWorkspace=output_ws,
XMin=qmin, XMax=qmax)
if (len(x_axis) > 2):
print '-> remove first and last point (edge effet)'
qmin = x_axis[1]
qmax = x_axis[-2]
CropWorkspace(InputWorkspace=output_ws,
OutputWorkspace=output_ws,
XMin=qmin, XMax=qmax)

# mtd.deleteWorkspace(ws_event_data)
# mtd.deleteWorkspace(ws_data_Q)

#space
print
Expand Down
2 changes: 1 addition & 1 deletion Code/Mantid/scripts/reduction/instruments/reflectometer/wks_utility.py
View file
Original file line number Diff line number Diff line change
Expand Up @@ -188,7 +188,7 @@ def createIntegratedWorkspace(mt1, outputWorkspace,

_y_axis = zeros((maxY, len(_tof_axis) - 1))
_y_error_axis = zeros((maxY, len(_tof_axis) - 1))

x_size = toXpixel - fromXpixel + 1
x_range = arange(x_size) + fromXpixel

Expand Down

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