From c68dd65c655e81cdbb598c97ce8df3ecda51aa5d Mon Sep 17 00:00:00 2001
From: Vickie Lynch <lynchve@ornl.gov>
Date: Wed, 25 Jan 2012 13:40:19 -0500
Subject: [PATCH] Refs #4656 Added third peak
---
.../CalibrateRectangularDetectors.py | 43 +++++++++++++++----
1 file changed, 34 insertions(+), 9 deletions(-)
diff --git a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/CalibrateRectangularDetectors.py b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/CalibrateRectangularDetectors.py
index 701b5ca6830..a3b0092622e 100644
--- a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/CalibrateRectangularDetectors.py
+++ b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/CalibrateRectangularDetectors.py
@@ -54,9 +54,9 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
self.declareProperty("CrossCorrelation", True,
Description="CrossCorrelation if True; minimize using many peaks if False.")
self.declareProperty("PeakPositions", "",
- Description="Comma delimited d-space positions of reference peaks. Use 1 or 2 for Cross Correlation. Unlimited for many peaks option.")
+ Description="Comma delimited d-space positions of reference peaks. Use 1-3 for Cross Correlation. Unlimited for many peaks option.")
self.declareProperty("DetectorsPeaks", "",
- Description="Comma delimited numbers of detector banks for each peak if using 2 peaks for Cross Correlation. Default is all.")
+ Description="Comma delimited numbers of detector banks for each peak if using 2-3 peaks for Cross Correlation. Default is all.")
self.declareProperty("PeakHalfWidth", 0.05,
Description="Half width of d-space around peaks for Cross Correlation. Default is 0.05")
self.declareProperty("CrossCorrelationPoints", 100,
@@ -102,7 +102,6 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
# generate the workspace name
name = "%s_%d" % (self._instrument, runnumber)
filename = name + extension
- print filename
try: # first just try loading the file
alg = LoadEventPreNexus(EventFilename=filename, OutputWorkspace=name)
@@ -267,7 +266,7 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
if self._lastpixel == 0:
self._lastpixel = wksp.getNumberHistograms()-1
else:
- self._lastpixel = wksp.getNumberHistograms()*self._lastpixel/self._lastpixel2-1
+ self._lastpixel = wksp.getNumberHistograms()*self._lastpixel/self._lastpixel3-1
CrossCorrelate(InputWorkspace=wksp, OutputWorkspace=str(wksp)+"cc", ReferenceSpectra=refpixel,
WorkspaceIndexMin=0, WorkspaceIndexMax=self._lastpixel, XMin=self._peakmin, XMax=self._peakmax)
# Get offsets for pixels using interval around cross correlations center and peak at peakpos (d-Spacing)
@@ -286,8 +285,9 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
refpixel = s
ymax = y_s[midBin]
print "Reference spectra=",refpixel
+ self._lastpixel2 = wksp.getNumberHistograms()*self._lastpixel2/self._lastpixel3-1
CrossCorrelate(InputWorkspace=wksp, OutputWorkspace=str(wksp)+"cc2", ReferenceSpectra=refpixel,
- WorkspaceIndexMin=self._lastpixel+1, WorkspaceIndexMax=wksp.getNumberHistograms()-1, XMin=self._peakmin2, XMax=self._peakmax2)
+ WorkspaceIndexMin=self._lastpixel+1, WorkspaceIndexMax=self._lastpixel2, XMin=self._peakmin2, XMax=self._peakmax2)
# Get offsets for pixels using interval around cross correlations center and peak at peakpos (d-Spacing)
GetDetectorOffsets(InputWorkspace=str(wksp)+"cc2", OutputWorkspace=str(wksp)+"offset2", Step=abs(self._binning[1]),
DReference=self._peakpos2, XMin=-self._ccnumber, XMax=self._ccnumber, MaxOffset=self._maxoffset, MaskWorkspace=str(wksp)+"mask2")
@@ -297,6 +297,28 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
mtd.deleteWorkspace(str(wksp)+"offset2")
mtd.deleteWorkspace(str(wksp)+"mask2")
mtd.releaseFreeMemory()
+ if self._peakpos3 > 0.0:
+ Rebin(InputWorkspace=wksp, OutputWorkspace=wksp,Params=str(self._peakmin3)+","+str(abs(self._binning[1]))+","+str(self._peakmax3))
+ #Find good peak for reference
+ ymax = 0
+ for s in range(0,wksp.getNumberHistograms()):
+ y_s = wksp.readY(s)
+ midBin = wksp.blocksize()/2
+ if y_s[midBin] > ymax:
+ refpixel = s
+ ymax = y_s[midBin]
+ print "Reference spectra=",refpixel
+ CrossCorrelate(InputWorkspace=wksp, OutputWorkspace=str(wksp)+"cc3", ReferenceSpectra=refpixel,
+ WorkspaceIndexMin=self._lastpixel2+1, WorkspaceIndexMax=wksp.getNumberHistograms()-1, XMin=self._peakmin3, XMax=self._peakmax3)
+ # Get offsets for pixels using interval around cross correlations center and peak at peakpos (d-Spacing)
+ GetDetectorOffsets(InputWorkspace=str(wksp)+"cc3", OutputWorkspace=str(wksp)+"offset3", Step=abs(self._binning[1]),
+ DReference=self._peakpos3, XMin=-self._ccnumber, XMax=self._ccnumber, MaxOffset=self._maxoffset, MaskWorkspace=str(wksp)+"mask3")
+ Plus(LHSWorkspace=str(wksp)+"offset", RHSWorkspace=str(wksp)+"offset3",OutputWorkspace=str(wksp)+"offset")
+ Plus(LHSWorkspace=str(wksp)+"mask", RHSWorkspace=str(wksp)+"mask3",OutputWorkspace=str(wksp)+"mask")
+ mtd.deleteWorkspace(str(wksp)+"cc3")
+ mtd.deleteWorkspace(str(wksp)+"offset3")
+ mtd.deleteWorkspace(str(wksp)+"mask3")
+ mtd.releaseFreeMemory()
CreateGroupingWorkspace(InputWorkspace=wksp, GroupNames=groups, OutputWorkspace=str(wksp)+"group")
lcinst = str(self._instrument)
@@ -417,7 +439,7 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
self._peakpos2 = 0
self._lastpixel = 0
self._lastpixel2 = 0
- print self._peakpos1
+ self._lastpixel3 = 0
peakhalfwidth = self.getProperty("PeakHalfWidth")
self._peakmin = self._peakpos1-peakhalfwidth
self._peakmax = self._peakpos1+peakhalfwidth
@@ -425,14 +447,17 @@ class CalibrateRectangularDetectors(PythonAlgorithm):
self._peakpos2 = float(positions[1])
self._peakmin2 = self._peakpos2-peakhalfwidth
self._peakmax2 = self._peakpos2+peakhalfwidth
- print self._peakpos2
+ if len(positions) >= 3:
+ self._peakpos3 = float(positions[1])
+ self._peakmin3 = self._peakpos3-peakhalfwidth
+ self._peakmax3 = self._peakpos3+peakhalfwidth
detectors = self.getProperty("DetectorsPeaks").strip().split(',')
if detectors[0]:
self._lastpixel = int(detectors[0])
- print self._lastpixel
if len(detectors) >= 2:
self._lastpixel2 = self._lastpixel+int(detectors[1])
- print self._lastpixel2
+ if len(detectors) >= 2:
+ self._lastpixel3 = self._lastpixel2+int(detectors[2])
pixelbin2 = self._xpixelbin*self._ypixelbin
self._ccnumber = self.getProperty("CrossCorrelationPoints")
self._maxoffset = self.getProperty("MaxOffset")
--
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