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Reverse algo. Now the Q conversion is done at the end. There is still…
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… an issue with the geometry correction that will be fixed next. This refs #4303
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@JeanBilheux
JeanBilheux committed Feb 23, 2012
1 parent f984766 commit 9f6474f
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Showing 3 changed files with 192 additions and 110 deletions.
111 changes: 51 additions & 60 deletions Code/Mantid/Framework/PythonAPI/PythonAlgorithms/RefLReduction.py
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Original file line number Diff line number Diff line change
Expand Up @@ -37,6 +37,7 @@ def PyInit(self):
self.declareWorkspaceProperty("OutputWorkspace", "", Direction.Output)

def PyExec(self):

import os
import numpy
import math
Expand Down Expand Up @@ -153,7 +154,7 @@ def PyExec(self):
to_units='rad')

# Rebin data (x-axis is in TOF)
ws_histo_data = "__"+ws_name+"_histo"
ws_histo_data = "_"+ws_name+"_histo"
Rebin(InputWorkspace=ws_event_data, OutputWorkspace=ws_histo_data,
Params=[TOFrange[0],
TOFsteps,
Expand All @@ -164,7 +165,7 @@ def PyExec(self):

# Normalized by Current (proton charge)
NormaliseByCurrent(InputWorkspace=ws_histo_data, OutputWorkspace=ws_histo_data)

# Calculation of the central pixel (using weighted average)
pixelXtof_data = wks_utility.getPixelXTOF(mtd[ws_histo_data], maxX=maxX, maxY=maxY)
pixelXtof_1d = pixelXtof_data.sum(axis=1)
Expand Down Expand Up @@ -208,25 +209,6 @@ def PyExec(self):
# 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)
theta = tthd_rad - ths_rad
AngleOffset_deg = float(self.getProperty("AngleOffset"))
AngleOffset_rad = (AngleOffset_deg * math.pi) / 180.
theta += AngleOffset_rad

if dMD is not None and theta is not None:

_tof_axis = mtd[ws_histo_data].readX(0)
_const = float(4) * math.pi * m * dMD / h
sz_tof = numpy.shape(_tof_axis)[0]
_q_axis = zeros(sz_tof-1)
for t in range(sz_tof-1):
tof1 = _tof_axis[t]
tof2 = _tof_axis[t+1]
tofm = (tof1+tof2)/2.
_Q = _const * math.sin(theta) / (tofm*1e-6)
_q_axis[t] = _Q*1e-10
q_max = max(_q_axis)

ws_integrated_data = "_IntegratedDataWks"
wks_utility.createIntegratedWorkspace(mtd[ws_histo_data],
ws_integrated_data,
Expand All @@ -235,14 +217,8 @@ def PyExec(self):
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY,
cpix=data_cpix,
source_to_detector=dMD,
sample_to_detector=dSD,
theta=theta,
geo_correction=True,
q_binning=[q_min,q_step,q_max])

maxY=maxY)

ws_data = "_DataWks"
ws_transposed = '_TransposedID'
if subtract_data_bck:
Expand Down Expand Up @@ -301,14 +277,11 @@ def PyExec(self):
# mtd.deleteWorkspace(ws_data_bck)
# mtd.deleteWorkspace(ws_transposed)

else:

else:
ConvertToHistogram(InputWorkspace=ws_integrated_data,
OutputWorkspace=ws_data)

Rebin(InputWorkspace=ws_data, OutputWorkspace=ws_data, Params=[q_step])

# Work on Normalization file #########################################

if (NormFlag):

# Find full path to event NeXus data file
Expand Down Expand Up @@ -351,14 +324,8 @@ def PyExec(self):
fromYpixel=BackfromYpixel,
toYpixel=BacktoYpixel,
maxX=maxX,
maxY=maxY,
cpix=data_cpix,
source_to_detector=dMD,
sample_to_detector=dSD,
theta=theta,
geo_correction=False)
maxY=maxY)


ws_data_bck = "_NormBckWks"
if subtract_norm_bck:
Transpose(InputWorkspace=ws_integrated_data,
Expand Down Expand Up @@ -422,12 +389,7 @@ def PyExec(self):
RebinToWorkspace(WorkspaceToRebin=ws_integrated_data,
WorkspaceToMatch=ws_data,
OutputWorkspace=ws_norm_rebinned)

#perform the integration myself
# mt_temp = mtd[ws_norm_rebinned]
# x_axis = mt_temp.readX(0)[:] #[9100,9300,.... 23500] (73,1)
# NormPeakRange = numpy.arange(to_peak-from_peak+1) + from_peak
# counts_vs_tof = numpy.zeros(len(x_axis))


#Normalization
SumSpectra(InputWorkspace=ws_norm_rebinned, OutputWorkspace=ws_norm_rebinned)
Expand All @@ -437,26 +399,55 @@ def PyExec(self):
RHSWorkspace=ws_norm_rebinned,
OutputWorkspace=ws_data)

mt =mtd[ws_data]
#This is where I need to move from TOF to Q (not before that)
#now we can convert to Q

theta = tthd_rad - ths_rad
AngleOffset_deg = float(self.getProperty("AngleOffset"))
AngleOffset_rad = (AngleOffset_deg * math.pi) / 180.
theta += AngleOffset_rad

ReplaceSpecialValues(InputWorkspace=ws_data, NaNValue=0, NaNError=0, InfinityValue=0, InfinityError=0, OutputWorkspace=ws_data)
if dMD is not None and theta is not None:

_tof_axis = mtd[ws_histo_data].readX(0)
_const = float(4) * math.pi * m * dMD / h
sz_tof = numpy.shape(_tof_axis)[0]
_q_axis = zeros(sz_tof-1)
for t in range(sz_tof-1):
tof1 = _tof_axis[t]
tof2 = _tof_axis[t+1]
tofm = (tof1+tof2)/2.
_Q = _const * math.sin(theta) / (tofm*1e-6)
_q_axis[t] = _Q*1e-10
q_max = max(_q_axis)

ws_data_Q = ws_data + '_Q'
wks_utility.convertWorkspaceToQ(ws_data,
ws_data_Q,
fromYpixel=data_peak[0],
toYpixel=data_peak[1],
cpix=data_cpix,
source_to_detector=dMD,
sample_to_detector=dSD,
theta=theta,
geo_correction=True,
q_binning=[q_min,q_step,q_max])

mt = mtd[ws_data_Q]
ReplaceSpecialValues(InputWorkspace=ws_data,
NaNValue=0,
NaNError=0,
InfinityValue=0,
InfinityError=0,
OutputWorkspace=ws_data)

output_ws = self.getPropertyValue("OutputWorkspace")

# if mtd.workspaceExists(output_ws):
# mtd.deleteWorkspace(output_ws)

SumSpectra(InputWorkspace=ws_data, OutputWorkspace=output_ws)
SumSpectra(InputWorkspace=ws_data_Q, OutputWorkspace=output_ws)

self.setProperty("OutputWorkspace", mtd[output_ws])

# Clean up intermediary workspaces
#mtd.deleteWorkspace(ws_data)

# if (NormFlag):
# mtd.deleteWorkspace(ws_norm)
# mtd.deleteWorkspace(ws_norm_rebinned)
# mtd.deleteWorkspace(ws_norm_histo_data)


mtd.registerPyAlgorithm(RefLReduction())
2 changes: 2 additions & 0 deletions Code/Mantid/scripts/Interface/reduction_gui/reduction/reflectometer/refl_data_script.py
View file
Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ class DataSets(BaseScriptElement):
DataBackgroundFlag = False
DataBackgroundRoi = [115, 137,123, 137]
DataTofRange = [9600., 21600.]
crop_TOF_range = True;

data_x_range_flag = True
data_x_range = [115,210]
Expand Down Expand Up @@ -252,3 +253,4 @@ def reset(self):
# Angle offset
self.angle_offset = DataSets.angle_offset
self.angle_offset_error = DataSets.angle_offset_error

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