From 90c07a8f1a388440798ad8a08bac007ab7331253 Mon Sep 17 00:00:00 2001
From: Steve Williams <stephen.williams@stfc.ac.uk>
Date: Fri, 1 Jul 2011 16:59:41 +0000
Subject: [PATCH] Correct unwanted case sensitivity in SANS batch mode, the
user file and correct some errors re #3199
---
Code/Mantid/Framework/Algorithms/src/Q1D2.cpp | 25 ++++----
.../Framework/Algorithms/test/Q1D2Test.h | 62 ++++++++++++++++---
.../scripts/SANS/ISISCommandInterface.py | 10 +--
Code/Mantid/scripts/SANS/SANSBatchMode.py | 2 +-
.../scripts/SANS/isis_reduction_steps.py | 28 ++++-----
5 files changed, 83 insertions(+), 44 deletions(-)
diff --git a/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp b/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp
index 329c8112fc1..72d265733b9 100644
--- a/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp
+++ b/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp
@@ -90,7 +90,7 @@ void Q1D2::exec()
const Geometry::ISpectraDetectorMap & inSpecMap = m_dataWS->spectraMap();
const int numSpec = static_cast<int>(m_dataWS->getNumberHistograms());
- Progress progress(this, 0.1, 1.0, numSpec+1);
+ Progress progress(this, 0.05, 1.0, numSpec+1);
PARALLEL_FOR3(m_dataWS, outputWS, pixelAdj)
for (int i = 0; i < numSpec; ++i)
@@ -113,15 +113,11 @@ void Q1D2::exec()
}
//get the bins that are included inside the RadiusCut/WaveCutcut off, those to calculate for
- size_t wavStart(0);
- if (m_RCut > 1e-200)
+ const size_t wavStart = waveLengthCutOff(i);
+ if (wavStart >= m_dataWS->readY(i).size())
{
- wavStart = waveLengthCutOff(i);
- if (wavStart >= m_dataWS->readY(i).size())
- {
- // all the spectra in this detector is out of range
- continue;
- }
+ // all the spectra in this detector are out of range
+ continue;
}
const size_t numWavbins = m_dataWS->readY(i).size()-wavStart;
@@ -278,12 +274,16 @@ API::MatrixWorkspace_sptr Q1D2::setUpOutputWorkspace(const std::vector<double> &
return outputWS;
}
/** Finds the first index number of the first wavelength bin that should included based on the
-* the calculation: W = Wcut (Rcut-R)/Rcut. Must only be called if m_RCut > 0.0
+* the calculation: W = Wcut (Rcut-R)/Rcut
* @param specInd spectrum that is being analysed
* @return index number of the first bin to include in the calculation
*/
size_t Q1D2::waveLengthCutOff(const size_t specInd) const
{
+ if ( !(m_RCut > 0) )
+ {
+ return 0;
+ }
//get the distance of between this detector and the origin, which should be the along the beam center
const V3D posOnBank = m_dataWS->getDetector(specInd)->getPos();
double R = (posOnBank.X()*posOnBank.X())+(posOnBank.Y()*posOnBank.Y());
@@ -341,7 +341,7 @@ void Q1D2::pixelWeight(API::MatrixWorkspace_const_sptr pixelAdj, const size_t s
if (pixelAdj)
{
weight *= pixelAdj->readY(specIndex)[0];
- error = pixelAdj->readE(specIndex)[0];
+ error = weight*pixelAdj->readE(specIndex)[0];
}
else
{
@@ -476,7 +476,7 @@ void Q1D2::getQBinPlus1(const MantidVec & OutQs, const double QToFind, MantidVec
}
if ( QToFind < *loc )
{
- //QToFind was outside the array
+ //QToFind is outside the array leave loc == OutQs.begin()
return;
}
}
@@ -484,6 +484,7 @@ void Q1D2::getQBinPlus1(const MantidVec & OutQs, const double QToFind, MantidVec
{
if ( OutQs.empty() || QToFind > *(loc-1) )
{
+ //outside the array leave loc == OutQs.end()
return;
}
}
diff --git a/Code/Mantid/Framework/Algorithms/test/Q1D2Test.h b/Code/Mantid/Framework/Algorithms/test/Q1D2Test.h
index 80b3782c12e..94fcf81535c 100644
--- a/Code/Mantid/Framework/Algorithms/test/Q1D2Test.h
+++ b/Code/Mantid/Framework/Algorithms/test/Q1D2Test.h
@@ -108,11 +108,10 @@ public:
TS_ASSERT( boost::math::isnan(result->readY(0).back()) )
//empty bins are 0/0
- TS_ASSERT_DELTA( result->readE(0)[2], 4847257060, 10 )
- TS_ASSERT_DELTA( result->readE(0)[10], 4921866100, 100 )
+ TS_ASSERT_DELTA( result->readE(0)[2], 404981, 10 )
+ TS_ASSERT_DELTA( result->readE(0)[10], 489710.39, 100 )
TS_ASSERT( boost::math::isnan(result->readE(0)[7]) )
- Mantid::API::AnalysisDataService::Instance().remove(m_noGrav);
}
void testGravity()
@@ -136,7 +135,7 @@ public:
Mantid::API::MatrixWorkspace_sptr gravity, refNoGrav =
boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
- (Mantid::API::AnalysisDataService::Instance().retrieve(outputWS));
+ (Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav));
TS_ASSERT_THROWS_NOTHING(
gravity = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
@@ -151,8 +150,8 @@ public:
TS_ASSERT_DELTA( gravity->readY(0)[10], 891346.9, 0.1 )
TS_ASSERT( boost::math::isnan(gravity->readY(0)[78]) )
- TS_ASSERT_DELTA( gravity->readE(0).front(), 3741978390, 10 )
- TS_ASSERT_DELTA( gravity->readE(0)[10], 4921866100, 100 )
+ TS_ASSERT_DELTA( gravity->readE(0).front(), 329383, 1 )
+ TS_ASSERT_DELTA( gravity->readE(0)[10], 489710, 1 )
TS_ASSERT( boost::math::isnan(gravity->readE(0)[77]) )
Mantid::API::AnalysisDataService::Instance().remove(outputWS);
@@ -163,11 +162,12 @@ public:
Mantid::Algorithms::Q1D2 Q1D;
Q1D.initialize();
+ const std::string outputWS("Q1D2Test_result");
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setPropertyValue("PixelAdj", m_pixel);
- Q1D.setPropertyValue("OutputWorkspace", m_noGrav);
+ Q1D.setPropertyValue("OutputWorkspace", outputWS);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
Q1D.setProperty("RadiusCut", 0.22);
Q1D.setProperty("WaveCut", 8.0);
@@ -178,7 +178,7 @@ public:
Mantid::API::MatrixWorkspace_sptr result;
TS_ASSERT_THROWS_NOTHING( result = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
- (Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav)) )
+ (Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
TS_ASSERT(result)
TS_ASSERT_EQUALS( result->getNumberHistograms(), 1 )
@@ -193,10 +193,52 @@ public:
TS_ASSERT_DELTA( result->readY(0)[12], 503242.79, 0.1)
TS_ASSERT( boost::math::isnan(result->readY(0).back()) )
- TS_ASSERT_DELTA( result->readE(0)[2], 4847257060, 10 )
- TS_ASSERT_DELTA( result->readE(0)[10], 4921866100, 100 )
+ TS_ASSERT_DELTA( result->readE(0)[2], 404981, 1 )
+ TS_ASSERT_DELTA( result->readE(0)[10], 489710, 100 )
TS_ASSERT( boost::math::isnan(result->readE(0)[7]) )
+ }
+
+ // here the cut parameters are set but should only affect detectors with lower R
+ void testNoCuts()
+ {
+ Mantid::Algorithms::Q1D2 Q1D;
+ Q1D.initialize();
+
+ const std::string outputWS("Q1D2Test_result");
+ TS_ASSERT_THROWS_NOTHING(
+ Q1D.setProperty("DetBankWorkspace", m_inputWS);
+ Q1D.setProperty("WavelengthAdj", m_wavNorm);
+ Q1D.setPropertyValue("PixelAdj", m_pixel);
+ Q1D.setPropertyValue("OutputWorkspace", outputWS);
+ Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
+ //this raduis is too small to exclude anything
+ Q1D.setProperty("RadiusCut", 0.05);
+ //this is the entire wavelength range
+ Q1D.setProperty("WaveCut", 30.0);
+ )
+ TS_ASSERT_THROWS_NOTHING( Q1D.execute() )
+ TS_ASSERT( Q1D.isExecuted() )
+ Mantid::API::MatrixWorkspace_sptr nocuts, noGrav =
+ boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
+ (Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav));
+ TS_ASSERT_THROWS_NOTHING(
+ nocuts = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
+ (Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
+
+ TS_ASSERT(nocuts)
+ TS_ASSERT_EQUALS( nocuts->getNumberHistograms(), 1 )
+
+ for ( int i = 0; i < nocuts->readY(0).size(); ++i )
+ {
+ TS_ASSERT_EQUALS( nocuts->readX(0)[i], noGrav->readX(0)[i] )
+ if ( ! boost::math::isnan(nocuts->readY(0)[i]) )
+ {
+ TS_ASSERT_EQUALS( nocuts->readY(0)[i], noGrav->readY(0)[i] )
+ TS_ASSERT_EQUALS( nocuts->readE(0)[i], noGrav->readE(0)[i] )
+ }
+ }
+
Mantid::API::AnalysisDataService::Instance().remove(m_noGrav);
}
diff --git a/Code/Mantid/scripts/SANS/ISISCommandInterface.py b/Code/Mantid/scripts/SANS/ISISCommandInterface.py
index dbd1273ad2e..b1e5b26bb1e 100644
--- a/Code/Mantid/scripts/SANS/ISISCommandInterface.py
+++ b/Code/Mantid/scripts/SANS/ISISCommandInterface.py
@@ -437,11 +437,11 @@ def PlotResult(workspace, canvas=None):
@param canvas: optional handle to an existing graph to write the plot to
@return: a handle to the graph that was written to
"""
- try:
- numSpecs = workspace.getNumberHistograms()
- except AttributeError:
- #ensure that we are dealing with a workspace handle rather than its name
- workspace = MantidFramework.mtd[workspace]
+ #ensure that we are dealing with a workspace handle rather than its name
+ workspace = mtd[str(workspace)]
+ if workspace.isGroup():
+ numSpecs = workspace[0].getNumberHistograms()
+ else:
numSpecs = workspace.getNumberHistograms()
try:
diff --git a/Code/Mantid/scripts/SANS/SANSBatchMode.py b/Code/Mantid/scripts/SANS/SANSBatchMode.py
index 6ab1140a1a6..37b6f2a5a6d 100644
--- a/Code/Mantid/scripts/SANS/SANSBatchMode.py
+++ b/Code/Mantid/scripts/SANS/SANSBatchMode.py
@@ -194,7 +194,7 @@ def parse_run(run_num, ext):
"""
if not run_num:
return '', -1
- parts = run_num.split('p')
+ parts = run_num.upper().split('P')
if len(parts) > 2:
raise RuntimeError('Problem reading run number "'+run_num+'"')
run_spec = parts[0]+ext
diff --git a/Code/Mantid/scripts/SANS/isis_reduction_steps.py b/Code/Mantid/scripts/SANS/isis_reduction_steps.py
index bf40a60f649..5beb4df7829 100644
--- a/Code/Mantid/scripts/SANS/isis_reduction_steps.py
+++ b/Code/Mantid/scripts/SANS/isis_reduction_steps.py
@@ -1135,25 +1135,21 @@ class TransmissionCalc(sans_reduction_steps.BaseTransmission):
or estimates the proportion of neutrons that are transmitted
through the sample
"""
+ self.output_wksp = None
#look for run files that contain transmission data
test1, test2 = self._get_run_wksps(reducer)
if test1 or test2:
+ #we can calculate the transmission from some experimental runs
if self.calculated_samp:
raise RuntimeError('Cannot use TransWorkspace() and TransmissionSample() together')
- trans_ws = self.calculate(reducer)
+ self.output_wksp = self.calculate(reducer)
else:
- trans_ws = None
+ #they have supplied a transmission file use it
if reducer.is_can():
- trans_ws = self.calculated_can
+ self.output_wksp = self.calculated_can
else:
- trans_ws = self.calculated_samp
- if not trans_ws:
- #if no transmission files were specified this isn't an error, we just do nothing
- return None
-
- self.output_wksp = trans_ws+'_rebinned'
- RebinToWorkspace(trans_ws, workspace, self.output_wksp)
+ self.output_wksp = self.calculated_samp
def _get_run_wksps(self, reducer):
"""
@@ -1576,17 +1572,17 @@ class UserFile(ReductionStep):
_issueWarning("L/SP lines are ignored")
return
- if limits.startswith('Q/RCut'):
- limits = limits.split('RCut')
+ if limits.upper().startswith('Q/RCUT'):
+ limits = limits.upper().split('RCUT')
if len(limits) != 2:
- _issueWarning("Badly formed L/Q/RCut line")
+ _issueWarning("Badly formed L/Q/RCUT line")
else:
reducer.to_Q.r_cut = float(limits[1])
return
- if limits.startswith('Q/WCut'):
- limits = limits.split('WCut')
+ if limits.upper().startswith('Q/WCUT'):
+ limits = limits.upper().split('WCUT')
if len(limits) != 2:
- _issueWarning("Badly formed L/Q/WCut line")
+ _issueWarning("Badly formed L/Q/WCUT line")
else:
reducer.to_Q.w_cut = float(limits[1])
return
--
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