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Commit c5400508 authored by Dan Nixon's avatar Dan Nixon
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Do calibration in energy instead 

Refs #11163
parent 6094b44e
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Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ILLIN16BCalibration.py
+ 43
− 89
View file @ c5400508
......@@ -2,10 +2,7 @@
from mantid.kernel import *
from mantid.api import WorkspaceProperty, FileProperty, FileAction, \
DataProcessorAlgorithm, AlgorithmFactory, mtd
from mantid.simpleapi import Load, CalculateFlatBackground, DeleteWorkspace, \
Integration, SumSpectra, Scale, CropWorkspace, \
FindDetectorsOutsideLimits, Plus, ScaleX, \
RebinToWorkspace
from mantid.simpleapi import *
class ILLIN16BCalibration(DataProcessorAlgorithm):
......@@ -23,79 +20,84 @@ class ILLIN16BCalibration(DataProcessorAlgorithm):
def summary(self):
return 'Creates a calibration workspace for IN16B.'
return 'Creates a calibration workspace in energy trnasfer for IN16B.'
def PyInit(self):
self.declareProperty(FileProperty(name='InputFile', defaultValue='', action=FileAction.Load),
self.declareProperty(FileProperty(name='Run', defaultValue='', action=FileAction.Load),
doc='Comma separated list of input files')
self.declareProperty(WorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Output workspace for calibration data')
self.declareProperty(name='MirrorMode', defaultValue=False,
doc='Data uses mirror mode')
self.declareProperty(IntArrayProperty(name='SpectraRange', values=[1, 2048],
self.declareProperty(IntArrayProperty(name='SpectraRange', values=[0, 23],
validator=IntArrayMandatoryValidator()),
doc='Spectra range to use')
self.declareProperty(FloatArrayProperty(name='PeakRange', values=[0.0, 100.0],
validator=FloatArrayMandatoryValidator()),
doc='Peak range in time of flight')
self.declareProperty(FloatArrayProperty(name='BackgroundRange', values=[0.0, 1000.0],
validator=FloatArrayMandatoryValidator()),
doc='Background range in time of flight')
doc='Peak range in energy transfer')
self.declareProperty(name='ScaleFactor', defaultValue=1.0,
doc='Intensity scaling factor')
self.declareProperty(name='MirrorMode', defaultValue=False,
doc='Data uses mirror mode')
self.declareProperty(WorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
doc='Output workspace for calibration data')
def PyExec(self):
self._setup()
Load(Filename=self._input_file,
OutputWorkspace=self._out_ws)
CropWorkspace(InputWorkspace=self._out_ws,
OutputWorkspace=self._out_ws,
StartWorkspaceIndex=int(self._spec_range[0]),
EndWorkspaceIndex=int(self._spec_range[1]))
if self._mirror_mode:
self._sum_mirror_mode()
CalculateFlatBackground(InputWorkspace=self._out_ws,
OutputWorkspace=self._out_ws,
StartX=self._back_range[0],
EndX=self._back_range[1],
Mode='Mean')
temp_raw = '__raw'
temp_left = '__left'
temp_right = '__right'
# Do an energy transfer reduction
IndirectILLReduction(Run=self._input_file,
Analyser='silicon',
Reflection='111',
MirrorMode=self._mirror_mode,
RawWorkspace=temp_raw,
LeftWorkspace=temp_left,
RightWorkspace=temp_right,
ReducedWorkspace=self._out_ws)
# Clean up unused workspaces
DeleteWorkspace(temp_raw)
DeleteWorkspace(temp_left)
DeleteWorkspace(temp_right)
# Integrate within peak range
number_historgrams = mtd[self._out_ws].getNumberHistograms()
Integration(InputWorkspace=self._out_ws,
OutputWorkspace=self._out_ws,
RangeLower=self._peak_range[0],
RangeUpper=self._peak_range[1])
RangeUpper=self._peak_range[1],
StartWorkspaceIndex=self._spec_range[0],
EndWorkspaceIndex=self._spec_range[1])
ws_mask, num_zero_spectra = FindDetectorsOutsideLimits(InputWorkspace=self._out_ws,
OutputWorkspace='__temp_ws_mask')
DeleteWorkspace(ws_mask)
tempSum = SumSpectra(InputWorkspace=self._out_ws,
OutputWorkspace='__temp_sum')
total = tempSum.readY(0)[0]
DeleteWorkspace(tempSum)
# Process automatic scaling
temp_sum = '__sum'
SumSpectra(InputWorkspace=self._out_ws,
OutputWorkspace=temp_sum)
total = mtd[temp_sum].readY(0)[0]
DeleteWorkspace(temp_sum)
if self._intensity_scale is None:
self._intensity_scale = 1 / ( total / (number_historgrams - num_zero_spectra) )
self._intensity_scale = 1 / (total / (number_historgrams - num_zero_spectra))
# Apply scaling factor
Scale(InputWorkspace=self._out_ws,
OutputWorkspace=self._out_ws,
Factor=self._intensity_scale,
Operation='Multiply')
self.setProperty('OutputWorkspace', self._out_ws)
......@@ -104,11 +106,10 @@ class ILLIN16BCalibration(DataProcessorAlgorithm):
Gets properties.
"""
self._input_file = self.getProperty('InputFile').value
self._input_file = self.getProperty('Run').value
self._out_ws = self.getPropertyValue('OutputWorkspace')
self._peak_range = self.getProperty('PeakRange').value
self._back_range = self.getProperty('BackgroundRange').value
self._spec_range = self.getProperty('SpectraRange').value
self._mirror_mode = self.getProperty('MirrorMode').value
......@@ -125,7 +126,6 @@ class ILLIN16BCalibration(DataProcessorAlgorithm):
issues['SpectraRange'] = self._validate_range('SpectraRange')
issues['PeakRange'] = self._validate_range('PeakRange')
issues['BackgroundRange'] = self._validate_range('BackgroundRange')
return issues
......@@ -148,51 +148,5 @@ class ILLIN16BCalibration(DataProcessorAlgorithm):
return None
def _sum_mirror_mode(self):
"""
Sums both sides when using mirror mode.
"""
# Calculate mid point
x = mtd[self._out_ws].readX(0)
mid_point = int((len(x) - 1) / 2)
# Left half
left_ws = '_left'
CropWorkspace(InputWorkspace=self._out_ws,
OutputWorkspace=left_ws,
XMax=x[mid_point - 1])
# Right half
right_ws = '_right'
CropWorkspace(InputWorkspace=self._out_ws,
OutputWorkspace=right_ws,
Xmin=x[mid_point])
# Shift X on right half workspace
factor = -mtd[right_ws].readX(0)[0]
ScaleX(InputWorkspace=right_ws,
OutputWorkspace=right_ws,
Factor=factor,
Operation='Add')
RebinToWorkspace(WorkspaceToRebin=right_ws,
WorkspaceToMatch=left_ws,
OutputWorkspace=right_ws)
# Sum both workspaces together
Plus(LHSWorkspace=left_ws,
RHSWorkspace=right_ws,
OutputWorkspace=self._out_ws)
Scale(InputWorkspace=self._out_ws,
OutputWorkspace=self._out_ws,
Factor=0.5,
Operation='Multiply')
DeleteWorkspace(left_ws)
DeleteWorkspace(right_ws)
# Register algorithm with Mantid
AlgorithmFactory.subscribe(ILLIN16BCalibration)
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