diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
index 89e391b2da0f79b2f2d6d3257331edb2c0e45410..fb249efdb2489fe6ac851dfce683858355edeb51 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
@@ -166,7 +166,6 @@ class SNSPowderReduction(PythonAlgorithm):
raise RuntimeError("Failed to find wavelength: %fAngstrom" % request)
def getInfo(self, frequency, wavelength):
- #print "getInfo(%f, %f)" % (frequency, wavelength)
if self.filename is not None:
if frequency is None:
raise RuntimeError("Unable to determine frequency from data")
@@ -313,6 +312,29 @@ class SNSPowderReduction(PythonAlgorithm):
workspacelist = [] # all data workspaces that will be converted to d-spacing in the end
samwksplist = []
+ self._lowResTOFoffset = self.getProperty("LowResolutionSpectraOffset").value
+ focuspos = self._config.getFocusPos()
+ if self._lowResTOFoffset >= 0:
+ # Dealing with the parameters for editing instrument parameters
+ if focuspos.has_key("PrimaryFlightPath") is True:
+ l1 = focuspos["PrimaryFlightPath"]
+ if l1 > 0:
+ specids = focuspos['SpectrumIDs'][:]
+ l2s = focuspos['L2'][:]
+ polars = focuspos['Polar'][:]
+ phis = focuspos['Azimuthal'][:]
+
+ specids.extend(specids)
+ l2s.extend(l2s)
+ polars.extend(polars)
+ phis.extend(phis)
+
+ focuspos['SpectrumIDs'] = specids
+ focuspos['L2'] = l2s
+ focuspos['Polar'] = polars
+ focuspos['Azimuthal'] = phis
+ # ENDIF
+
if self.getProperty("Sum").value:
# Sum input sample runs and then do reduction
if self._splitws is not None:
@@ -430,10 +452,10 @@ class SNSPowderReduction(PythonAlgorithm):
# process the vanadium run
vanRun = self.getProperty("VanadiumNumber").value
- self.log().information("F313A: Correction SamRun = %s, VanRun = %s of type %s" % (str(samRun), str(vanRun), str(type(vanRun))))
+ self.log().debug("F313A: Correction SamRun = %s, VanRun = %s of type %s" % (str(samRun), str(vanRun), str(type(vanRun))))
if vanRun == 0: # use the version in the info
vanRun = self._info.van
- self.log().information("F313B: Van Correction SamRun = %s, VanRun = %s" % (str(samRun), str(vanRun)))
+ self.log().debug("F313B: Van Correction SamRun = %s, VanRun = %s" % (str(samRun), str(vanRun)))
elif vanRun < 0: # turn off the correction
vanRun = 0
self.log().information("F313C: Correction SamRun = %s, VanRun = %s of type %s" % (str(samRun), str(vanRun), str(type(vanRun))))
@@ -524,11 +546,11 @@ class SNSPowderReduction(PythonAlgorithm):
return
if self.getProperty("StripVanadiumPeaks").value:
vanRun = api.ConvertUnits(InputWorkspace=vanRun, OutputWorkspace=vanRun, Target="dSpacing")
- api.CloneWorkspace(InputWorkspace=vanRun, OutputWorkspace=str(vanRun)+"_Raw")
+ # api.CloneWorkspace(InputWorkspace=vanRun, OutputWorkspace=str(vanRun)+"_Raw")
vanRun = api.StripVanadiumPeaks(InputWorkspace=vanRun, OutputWorkspace=vanRun, FWHM=self._vanPeakFWHM,
PeakPositionTolerance=self.getProperty("VanadiumPeakTol").value,
BackgroundType="Quadratic", HighBackground=True)
- api.CloneWorkspace(InputWorkspace=vanRun, OutputWorkspace=str(vanRun)+"_PostStrip")
+ # api.CloneWorkspace(InputWorkspace=vanRun, OutputWorkspace=str(vanRun)+"_PostStrip")
else:
self.log().information("Not strip vanadium peaks")
vanRun = api.ConvertUnits(InputWorkspace=vanRun, OutputWorkspace=vanRun, Target="TOF")
@@ -546,10 +568,6 @@ class SNSPowderReduction(PythonAlgorithm):
else:
vanRun = None
- for iws in xrange(samRun.getNumberHistograms()):
- spec1 = samRun.getSpectrum(iws)
- self.log().information("[DBx157] ws %d: sample spectrum ID = %d;" % ( iws, spec1.getSpectrumNo()))
-
if HAVE_MPI:
if rank > 0:
return
@@ -570,18 +588,10 @@ class SNSPowderReduction(PythonAlgorithm):
else:
normalized = False
- for iws in xrange(samRun.getNumberHistograms()):
- spec1 = samRun.getSpectrum(iws)
- self.log().information("[DBx209] ws %d: sample spectrum ID = %d;" % ( iws, spec1.getSpectrumNo() ))
-
if not "histo" in SUFFIX and preserveEvents and HAVE_MPI is False:
samRun = api.CompressEvents(InputWorkspace=samRun, OutputWorkspace=samRun,
Tolerance=COMPRESS_TOL_TOF) # 5ns/
- for iws in xrange(samRun.getNumberHistograms()):
- spec1 = samRun.getSpectrum(iws)
- self.log().information("[DBx210] ws %d: sample spectrum ID = %d;" % ( iws, spec1.getSpectrumNo() ))
-
# make sure there are no negative values - gsas hates them
if self.getProperty("PushDataPositive").value != "None":
addMin = (self.getProperty("PushDataPositive").value == "AddMinimum")
@@ -598,10 +608,6 @@ class SNSPowderReduction(PythonAlgorithm):
samRun = str(samRun)
#mtd.releaseFreeMemory()
- for iws in xrange(samRunws.getNumberHistograms()):
- spec1 = samRunws.getSpectrum(iws)
- self.log().information("[DBx211] ws %s spec %d-th: sample spectrum ID = %d;" % ( str(samRunws), iws, spec1.getSpectrumNo() ))
-
# ENDFOR
# convert everything into d-spacing
@@ -609,9 +615,6 @@ class SNSPowderReduction(PythonAlgorithm):
if HAVE_MPI is False:
for wksp in workspacelist:
wksp = api.ConvertUnits(InputWorkspace=wksp, OutputWorkspace=wksp, Target=self.getProperty("FinalDataUnits").value)
- for iws in xrange(wksp.getNumberHistograms()):
- spec1 = wksp.getSpectrum(iws)
- self.log().information("[DBx212] ws %s spec %d-th: sample spectrum ID = %d;" % ( str(wksp), iws, spec1.getSpectrumNo() ))
return
@@ -810,37 +813,9 @@ class SNSPowderReduction(PythonAlgorithm):
temp = tempwslist[itemp]
# Align and focus
self.log().information("[F1141] Align and focus workspace %s; Number of events = %d of chunk %d " % (str(temp), temp.getNumberEvents(), ichunk))
- # print "[DB1141] Align and focus workspace %s; Number of events = %d of chunk %d " % (str(temp), temp.getNumberEvents(), ichunk)
-
- self._lowResTOFoffset = self.getProperty("LowResolutionSpectraOffset").value
focuspos = self._config.getFocusPos()
- if self._lowResTOFoffset >= 0:
- print "Reducing Low resolution TOF"
-
- # Dealing with the parameters for editing instrument parameters
- if focuspos.has_key("PrimaryFlightPath") is True:
- l1 = focuspos["PrimaryFlightPath"]
- if l1 > 0:
- specids = focuspos['SpectrumIDs']
- l2s = focuspos['L2']
- polars = focuspos['Polar']
- phis = focuspos['Azimuthal']
-
- specids.extend(specids)
- l2s.extend(l2s)
- polars.extend(polars)
- phis.extend(phis)
-
- focuspos['SpectrumIDs'] = specids
- focuspos['L2'] = l2s
- focuspos['Polar'] = polars
- focuspos['Azimuthal'] = phis
-
- else:
- print "Ignoring Low resolution TOF"
-
temp = api.AlignAndFocusPowder(InputWorkspace=temp, OutputWorkspace=temp, CalFileName=calib,
Params=self._binning, ResampleX=self._resampleX, Dspacing=self._bin_in_dspace,
DMin=self._info.dmin, DMax=self._info.dmax, TMin=self._info.tmin, TMax=self._info.tmax,
@@ -853,20 +828,6 @@ class SNSPowderReduction(PythonAlgorithm):
spec = temp.getSpectrum(iws)
self.log().debug("[DBx131] ws %d: spectrum ID = %d. " % (iws, spec.getSpectrumNo()))
- # if self._outputLowResTOF is True:
- # temphighws = tempout[0]
- # templowws = tempout[1]
- # temp = api.AppendSpectra(InputWorkspace1=temphighws, InputWorkspace2=templowws, OutputWorkspace=str(temphighws))
- # api.DeleteWorkspace(Workspace=str(templowws))
- # else:
- # temp = tempout
-
- # try:
- # if temp.__class__.__name__.count("IEvent") > 0:
- # print "[DB1050-3] Number of events = %d of chunk %d" % (temp.getNumberEvents(), ichunk)
- # except RuntimeError:
- # print "[DB1050-3] Not an event workspace."
-
# Rename and/or add to workspace of same splitter but different chunk
wkspname = wksp
if numwksp > 1:
@@ -932,7 +893,7 @@ class SNSPowderReduction(PythonAlgorithm):
# except Exception as e:
# print e
- self.log().information("[F1207] Number of workspace in workspace list after clean = %d. " %(len(wksplist)))
+ self.log().information("[E1207] Number of workspace in workspace list after clean = %d. " %(len(wksplist)))
# About return
if splitwksp is None:
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
index 5f037a4ba81734c5d8860af0af6ea375e9578fc4..77f3ec56f144cd0ad7862656d99b2295d4d3a116 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
@@ -572,22 +572,37 @@ namespace WorkflowAlgorithms
{
size_t numlow = m_lowResW->getNumberHistograms();
// FIXME : There must be some bug in constructing the vectors for EditInstrumentGeometry
-#if 0
+
// Check size
- if (tths.size() < numreg+numlow)
- throw std::runtime_error("Input number of 2thetas is smaller than number of histogram (low).");
- if (l2s.size() < numreg+numlow)
+ size_t numall = numreg+numlow;
+ g_log.information() << "[DBx931] Num-All = " << numall << ".\n";
+ if (tths.size() != numall)
+ {
+ std::stringstream errss;
+ errss << "Input number of 2thetas (" << tths.size() << " is not equal to "
+ << "the number of normal and low resolution histograms " << numall << ".\n";
+ for (size_t i = 0; i < tths.size(); ++i)
+ {
+ errss << "2theta[" << i << "] = " << tths[i] << "\n";
+ }
+ g_log.error(errss.str());
+ throw std::runtime_error(errss.str());
+ }
+ if (l2s.size() != numall)
throw std::runtime_error("Input number of L2s is smaller than number of histogram (low).");
- if (phis.size() < numreg+numlow)
+ if (phis.size() != numall)
throw std::runtime_error("Input number of azimuthals is smaller than number of histogram (low).");
std::vector<int32_t> vec_specid_low;
- if (specids.size() == numreg+numlow)
+ if (specids.size() == numall)
{
- vec_specid_low.resize(numlow, 0);
- std::copy((specids.begin()+numreg), specids.end(), vec_specid_low.begin());
+ // vec_specid_low.resize(numlow, 0);
+ // std::copy((specids.begin()+numreg), specids.end(), vec_specid_low.begin());
for (size_t i = 0; i < numlow; ++i)
+ {
+ vec_specid_low.push_back(specids[numreg+i]);
g_log.information() << i << " : " << vec_specid_low[i] << ".\n";
+ }
}
else if (specids.size() == 0)
{
@@ -600,6 +615,7 @@ namespace WorkflowAlgorithms
<< ", LowResW's size = " << numlow << ".\n";
}
+#if 0
std::vector<double> vec_polar_low(numlow, 0.);
std::copy((tths.begin()+numreg), tths.end(), vec_polar_low.begin());
for (size_t i = 0; i < numlow; ++i)
@@ -614,26 +630,26 @@ namespace WorkflowAlgorithms
std::copy((phis.begin()+numreg), phis.end(), vec_azimuthal_low.begin());
for (size_t i = 0; i < numlow; ++i)
g_log.information() << i << " : " << vec_azimuthal_low[i] << ".\n";
+#else
+ std::vector<double> vec_polar_low, vec_l2_low, vec_azimuthal_low;
+ for (size_t i = 0; i < numlow; ++i)
+ {
+ vec_polar_low.push_back(tths[numreg+i]);
+ vec_l2_low.push_back(l2s[numreg+i]);
+ vec_azimuthal_low.push_back(phis[numreg+i]);
+ }
#endif
-#if 0
- API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
- editAlg->setProperty("Workspace", m_lowResW);
- editAlg->setProperty("PrimaryFlightPath", l1);
- editAlg->setProperty("Polar", vec_polar_low);
- editAlg->setProperty("SpectrumIDs", vec_specid_low);
- editAlg->setProperty("L2", vec_l2_low);
- editAlg->setProperty("Azimuthal", vec_azimuthal_low);
- editAlg->executeAsChildAlg();
- m_lowResW = editAlg->getProperty("Workspace");
+#if 1
+ g_log.information() << vec_polar_low.size() << ".\n";
+ g_log.information() << vec_specid_low.size() << ".\n";
+ g_log.information() << vec_l2_low.size() << ".\n";
+ g_log.information() << vec_azimuthal_low.size() << ".\n";
+ m_lowResW = editInstrument(m_lowResW, vec_polar_low, vec_specid_low, vec_l2_low, vec_azimuthal_low);
#else
- // g_log.information() << vec_polar_low.size() << ".\n";
- // g_log.information() << vec_specid_low.size() << ".\n";
- // g_log.information() << vec_l2_low.size() << ".\n";
- // g_log.information() << vec_azimuthal_low.size() << ".\n";
- // m_lowResW = editInstrument(m_lowResW, vec_polar_low, vec_specid_low, vec_l2_low, vec_azimuthal_low);
m_lowResW = editInstrument(m_lowResW, vec_polar_reg, vec_specid_reg, vec_l2_reg, vec_azimuthal_reg);
#endif
+
}
}