def reduceSpicePDData(self,
exp,
scan,
unit,
xmin,
xmax,
binsize,
wavelength=None,
excludeddetlist=None,
scalefactor=None):
""" Reduce SPICE powder diffraction data from MDEventWorkspaces
Return - Boolean as reduction is successful or not
"""
# Get reduction manager
try:
ws_manager = self._myWorkspaceDict[(int(exp), int(scan))]
except KeyError:
raise NotImplementedError(
"SPICE data for Exp %d Scan %d has not been loaded." %
(int(exp), int(scan)))
datamdws = ws_manager.datamdws
monitormdws = ws_manager.monitormdws
# binning from MD to single spectrum ws
# set up binning parameters
if xmin is None or xmax is None:
binpar = "%.7f" % (binsize)
else:
binpar = "%.7f, %.7f, %.7f" % (xmin, binsize, xmax)
# scale-factor
if scalefactor is None:
scalefactor = 1.
else:
scalefactor = float(scalefactor)
print "[DB] Scale factor is %f." % (scalefactor)
# Excluded detectors
if excludeddetlist is None:
excludeddetlist = []
else:
print "[DB] Excluded detectors: %s"%(excludeddetlist), "Convert to numpy array", \
numpy.array(excludeddetlist)
basewsname = datamdws.name().split("_DataMD")[0]
outwsname = basewsname + "_Reduced"
api.ConvertCWPDMDToSpectra(
InputWorkspace=datamdws,
InputMonitorWorkspace=monitormdws,
OutputWorkspace=outwsname,
BinningParams=binpar,
UnitOutput=unit,
NeutronWaveLength=wavelength,
ExcludedDetectorIDs=numpy.array(excludeddetlist),
ScaleFactor=scalefactor)
print "[DB] Reduction is finished. Data is in workspace %s. " % (
outwsname)
# Set up class variable for min/max and
outws = AnalysisDataService.retrieve(outwsname)
if outws is None:
raise NotImplementedError(
"Failed to bin the MDEventWorkspaces to MatrixWorkspace.")
# Manager:
if self._myWorkspaceDict.has_key((exp, scan)) is False:
raise NotImplementedError(
'Exp %d Scan %d has not been initialized. ' % (exp, scan))
# wsmanager = PDRManager(exp, scan)
ws_manager = self._myWorkspaceDict[(exp, scan)]
ws_manager.setup(datamdws, monitormdws, outws, unit, binsize)
ws_manager.setWavelength(wavelength)
# self._myWorkspaceDict[(exp, scan)] = wsmanager
return True
def mergeReduceSpiceData(self, expno, scannolist, unit, xmin, xmax,
binsize):
""" Merge and reduce SPICE data files
Arguements:
- expscanfilelist: list of 3 tuples: expnumber, scannumber and file name
"""
# Collect data MD workspaces and monitor MD workspaces
datamdwslist = []
monitormdwslist = []
self._lastWkspToMerge = []
print "[Checkpoint 0] Scans = ", str(scannolist)
for scanno in sorted(scannolist):
try:
wsmanager = self.getWorkspace(expno, scanno, True)
datamdwslist.append(wsmanager.datamdws)
monitormdwslist.append(wsmanager.monitormdws)
self._lastWkspToMerge.append(wsmanager)
except KeyError as ne:
print '[Error] Unable to retrieve MDWorkspaces for Exp %d Scan %d due to %s.' % (
expno, scanno, str(ne))
scannolist.remove(scanno)
# ENDFOR
print "[Checkpoing 1] Scans = ", str(scannolist)
# Merge and binning
if len(datamdwslist) > 1:
mg_datamdws = datamdwslist[0] + datamdwslist[1]
mg_monitormdws = monitormdwslist[0] + monitormdwslist[1]
else:
mg_datamdws = datamdwslist[0]
mg_monitormdws = monitormdwslist[0]
for iw in xrange(2, len(datamdwslist)):
mg_datamdws += datamdwslist[iw]
mg_monitormdws += monitormdwslist[iw]
# Set up binning parameters
if xmin is None or xmax is None:
binpar = "%.7f" % (binsize)
else:
binpar = "%.7f, %.7f, %.7f" % (xmin, binsize, xmax)
# set up output workspace's name
scannolist = sorted(scannolist)
outwsname = "Merged_Exp%d_Scan%s_%s" % (expno, scannolist[0],
scannolist[-1])
# Merge
wavelength = self.getWavelength(expno, scannolist[0])
api.ConvertCWPDMDToSpectra(InputWorkspace=mg_datamdws,
InputMonitorWorkspace=mg_monitormdws,
OutputWorkspace=outwsname,
BinningParams=binpar,
UnitOutput=unit,
NeutronWaveLength=wavelength)
moutws = AnalysisDataService.retrieve(outwsname)
if moutws is None:
raise NotImplementedError("Merge failed.")
key = (expno, str(scannolist))
self._myMergedWSDict[key] = moutws
return key