diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SumSpectra.h b/Framework/Algorithms/inc/MantidAlgorithms/SumSpectra.h
index d7ba859a70662289c0438ffcadcdac411614630a..51185412ebbe7b9fe0a275a9d112799eb7a5d3bf 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/SumSpectra.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SumSpectra.h
@@ -76,7 +76,7 @@ private:
size_t &numZeros);
specnum_t getOutputSpecNo(API::MatrixWorkspace_const_sptr localworkspace);
- API::MatrixWorkspace_sptr replaceSpecialValues(bool forceCopy = false);
+ API::MatrixWorkspace_sptr replaceSpecialValues();
void determineIndices(const size_t numberOfSpectra);
/// The output spectrum number
diff --git a/Framework/Algorithms/src/Rebin2D.cpp b/Framework/Algorithms/src/Rebin2D.cpp
index 238011d280c8eab533a21fbcec3b9afa62b1278e..8301c3292612451ade37a55d912988c65bc9c984 100644
--- a/Framework/Algorithms/src/Rebin2D.cpp
+++ b/Framework/Algorithms/src/Rebin2D.cpp
@@ -155,6 +155,7 @@ void Rebin2D::exec() {
}
PARALLEL_CHECK_INTERUPT_REGION
if (useFractionalArea) {
+ FractionalRebinning::finalizeFractionalRebin(*outputRB);
outputRB->finalize(true);
}
diff --git a/Framework/Algorithms/src/SofQWNormalisedPolygon.cpp b/Framework/Algorithms/src/SofQWNormalisedPolygon.cpp
index b583f653dce63e0b78c8c48f3de8f712b54f2ba0..98157f314023c2171f9cbc9c5af79e6d62d5e2bd 100644
--- a/Framework/Algorithms/src/SofQWNormalisedPolygon.cpp
+++ b/Framework/Algorithms/src/SofQWNormalisedPolygon.cpp
@@ -474,6 +474,7 @@ void SofQWNormalisedPolygon::exec() {
}
PARALLEL_CHECK_INTERUPT_REGION
+ FractionalRebinning::finalizeFractionalRebin(*outputWS);
outputWS->finalize();
FractionalRebinning::normaliseOutput(outputWS, inputWS, m_progress.get());
diff --git a/Framework/Algorithms/src/SumSpectra.cpp b/Framework/Algorithms/src/SumSpectra.cpp
index c454fefc134e2544da47d6e1552faa583509f0a4..f34877d08084286efb4a73ec81865d960395cab6 100644
--- a/Framework/Algorithms/src/SumSpectra.cpp
+++ b/Framework/Algorithms/src/SumSpectra.cpp
@@ -159,16 +159,16 @@ void SumSpectra::init() {
"If enabled floating point special values such as NaN or Inf"
" are removed before the spectra are summed.");
- declareProperty("UseFractionalArea", true,
- "Normalize the output workspace to the fractional area for "
- "RebinnedOutput workspaces.");
-
declareProperty("MultiplyBySpectra", true,
"For unnormalized data one should multiply the weighted sum "
"by the number of spectra contributing to the bin.");
setPropertySettings(
"MultiplyBySpectra",
std::make_unique<EnabledWhenProperty>("WeightedSum", IS_EQUAL_TO, "1"));
+
+ declareProperty("UseFractionalArea", true,
+ "Normalize the output workspace to the fractional area for "
+ "RebinnedOutput workspaces.");
}
/*
@@ -349,13 +349,13 @@ SumSpectra::getOutputSpecNo(MatrixWorkspace_const_sptr localworkspace) {
* such as NaN or Inf to 0.
* @return The workspace with special floating point values set to 0
*/
-API::MatrixWorkspace_sptr SumSpectra::replaceSpecialValues(bool forceCopy) {
+API::MatrixWorkspace_sptr SumSpectra::replaceSpecialValues() {
// Get a copy of the input workspace
MatrixWorkspace_sptr wksp = getProperty("InputWorkspace");
if (!m_replaceSpecialValues) {
- // Skip any additional processing but create copy if needed
- return (forceCopy ? wksp->clone() : wksp);
+ // Skip any additional processing
+ return wksp;
}
IAlgorithm_sptr alg = createChildAlgorithm("ReplaceSpecialValues");
@@ -516,7 +516,7 @@ void SumSpectra::doFractionalSum(MatrixWorkspace_sptr outputWorkspace,
// First, we need to clean the input workspace for nan's and inf's in order
// to treat the data correctly later. This will create a new private
// workspace that will be retrieved as mutable.
- auto localworkspace = replaceSpecialValues(true);
+ auto localworkspace = replaceSpecialValues();
// Transform to real workspace types
RebinnedOutput_sptr inWS =
@@ -524,8 +524,9 @@ void SumSpectra::doFractionalSum(MatrixWorkspace_sptr outputWorkspace,
RebinnedOutput_sptr outWS =
boost::dynamic_pointer_cast<RebinnedOutput>(outputWorkspace);
- // Unfinalize the workspace prior to the sum process
- inWS->unfinalize();
+ // Check finalize state prior to the sum process, at the completion
+ // the output is unfinalized
+ auto isFinalized = inWS->isFinalized();
// Get references to the output workspaces's data vectors
auto &outSpec = outputWorkspace->getSpectrum(0);
@@ -555,19 +556,22 @@ void SumSpectra::doFractionalSum(MatrixWorkspace_sptr outputWorkspace,
if (m_calculateWeightedSum) {
for (size_t yIndex = 0; yIndex < m_yLength; ++yIndex) {
const double yErrorsVal = YErrors[yIndex];
+ const double fracVal = (isFinalized ? FracArea[yIndex] : 1.0);
if (std::isnormal(yErrorsVal)) { // is non-zero, nan, or infinity
- const double errsq = yErrorsVal * yErrorsVal;
+ const double errsq = yErrorsVal * yErrorsVal * fracVal * fracVal;
YErrorSum[yIndex] += errsq;
Weight[yIndex] += 1. / errsq;
- YSum[yIndex] += YValues[yIndex] / errsq;
+ YSum[yIndex] += YValues[yIndex] * fracVal / errsq;
} else {
nZeros[yIndex]++;
}
}
} else {
for (size_t yIndex = 0; yIndex < m_yLength; ++yIndex) {
- YSum[yIndex] += YValues[yIndex];
- YErrorSum[yIndex] += YErrors[yIndex] * YErrors[yIndex];
+ const double fracVal = (isFinalized ? FracArea[yIndex] : 1.0);
+ YSum[yIndex] += YValues[yIndex] * fracVal;
+ YErrorSum[yIndex] +=
+ YErrors[yIndex] * YErrors[yIndex] * fracVal * fracVal;
}
}
// accumulation of fractional weight is the same
diff --git a/Framework/Algorithms/test/SumSpectraTest.h b/Framework/Algorithms/test/SumSpectraTest.h
index 9b788614fb39d0b4a404da52ca29c360f67f5308..4f6b59606eb21cdea1cc6e2410d79552b32f68fa 100644
--- a/Framework/Algorithms/test/SumSpectraTest.h
+++ b/Framework/Algorithms/test/SumSpectraTest.h
@@ -342,28 +342,52 @@ public:
RebinnedOutput_sptr output;
output =
AnalysisDataService::Instance().retrieveWS<RebinnedOutput>(outName);
- TS_ASSERT(output);
- TS_ASSERT_EQUALS(output->getNumberHistograms(), 1);
- TS_ASSERT_EQUALS(output->blocksize(), 6);
- // Row with full acceptance
- TS_ASSERT_EQUALS(output->y(0)[1], 1.);
- TS_ASSERT_DELTA(output->e(0)[1], 0.40824829046386296, 1.e-5);
- TS_ASSERT_EQUALS(output->dataF(0)[1], 6.);
- // Row with limited, but non-zero acceptance, shouldn't have nans!
- TS_ASSERT_DELTA(output->y(0)[5], 0.66666, 1.e-5);
- TS_ASSERT_DELTA(output->e(0)[5], 0.47140452079103173, 1.e-5);
- TS_ASSERT_EQUALS(output->dataF(0)[5], 3.);
- TS_ASSERT(output->run().hasProperty("NumAllSpectra"))
- TS_ASSERT(output->run().hasProperty("NumMaskSpectra"))
- TS_ASSERT(output->run().hasProperty("NumZeroSpectra"))
-
- TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(nHist),
- output->run().getLogData("NumAllSpectra")->value())
- TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(0),
- output->run().getLogData("NumMaskSpectra")->value())
- TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(0),
- output->run().getLogData("NumZeroSpectra")->value())
+ auto evaluate = [&, nHist](RebinnedOutput_sptr &output) {
+ TS_ASSERT(output);
+ TS_ASSERT_EQUALS(output->getNumberHistograms(), 1);
+ TS_ASSERT_EQUALS(output->blocksize(), 6);
+ // Row with full acceptance
+ TS_ASSERT_EQUALS(output->y(0)[1], 1.);
+ TS_ASSERT_DELTA(output->e(0)[1], 0.40824829046386296, 1.e-5);
+ TS_ASSERT_EQUALS(output->dataF(0)[1], 6.);
+ // Row with limited, but non-zero acceptance, shouldn't have nans!
+ TS_ASSERT_DELTA(output->y(0)[5], 0.66666, 1.e-5);
+ TS_ASSERT_DELTA(output->e(0)[5], 0.47140452079103173, 1.e-5);
+ TS_ASSERT_EQUALS(output->dataF(0)[5], 3.);
+
+ TS_ASSERT(output->run().hasProperty("NumAllSpectra"))
+ TS_ASSERT(output->run().hasProperty("NumMaskSpectra"))
+ TS_ASSERT(output->run().hasProperty("NumZeroSpectra"))
+
+ TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(nHist),
+ output->run().getLogData("NumAllSpectra")->value())
+ TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(0),
+ output->run().getLogData("NumMaskSpectra")->value())
+ TS_ASSERT_EQUALS(boost::lexical_cast<std::string>(0),
+ output->run().getLogData("NumZeroSpectra")->value())
+ };
+
+ evaluate(output);
+
+ // unfinalize the workspace and confirm it gives the same results
+ // using a clean algorithm
+ ws->unfinalize();
+ AnalysisDataService::Instance().addOrReplace(inName, ws);
+ Mantid::Algorithms::SumSpectra alg3a;
+ if (!alg3a.isInitialized()) {
+ alg3a.initialize();
+ }
+ // Set the properties
+ alg3a.setPropertyValue("InputWorkspace", inName);
+ alg3a.setPropertyValue("OutputWorkspace", outName);
+ alg3a.setProperty("IncludeMonitors", false);
+ alg3a.setProperty("RemoveSpecialValues", true);
+ alg3a.execute();
+ TS_ASSERT(alg3a.isExecuted());
+ output =
+ AnalysisDataService::Instance().retrieveWS<RebinnedOutput>(outName);
+ evaluate(output);
}
void testExecNoLimitsWeighted() {
Mantid::Algorithms::SumSpectra alg2;
diff --git a/Framework/DataObjects/inc/MantidDataObjects/FractionalRebinning.h b/Framework/DataObjects/inc/MantidDataObjects/FractionalRebinning.h
index eaa08f04d077365c80a85291dce65708ec6c755f..6bf685879efb01964daafd16d8628848d658894f 100644
--- a/Framework/DataObjects/inc/MantidDataObjects/FractionalRebinning.h
+++ b/Framework/DataObjects/inc/MantidDataObjects/FractionalRebinning.h
@@ -62,6 +62,10 @@ MANTID_DATAOBJECTS_DLL void rebinToFractionalOutput(
const std::vector<double> &verticalAxis,
const DataObjects::RebinnedOutput_const_sptr &inputRB = nullptr);
+/// Set finalize flag after fractional rebinning loop
+MANTID_DATAOBJECTS_DLL void
+finalizeFractionalRebin(DataObjects::RebinnedOutput &outputWS);
+
} // namespace FractionalRebinning
} // namespace DataObjects
diff --git a/Framework/DataObjects/src/FractionalRebinning.cpp b/Framework/DataObjects/src/FractionalRebinning.cpp
index d1157b045e56ea3655e77484de2ae08d3bcd716a..3064644bf89025447f3f597f81f79af207f2ed01 100644
--- a/Framework/DataObjects/src/FractionalRebinning.cpp
+++ b/Framework/DataObjects/src/FractionalRebinning.cpp
@@ -685,6 +685,16 @@ void rebinToFractionalOutput(const Quadrilateral &inputQ,
}
}
+/**
+ * Called at the completion of the fractional rebinning loop
+ * to the set the finalize flag in the output workspace.
+ * @param outputWS Reference to the rebinned output workspace
+ */
+void finalizeFractionalRebin(RebinnedOutput &outputWS) {
+ // rebinToFractionalOutput() leaves the data in an unfinalized state
+ outputWS.setFinalized(false);
+}
+
} // namespace FractionalRebinning
} // namespace DataObjects
diff --git a/Framework/DataObjects/src/ReflectometryTransform.cpp b/Framework/DataObjects/src/ReflectometryTransform.cpp
index a3231deedb7a1e9f798e555afd6e4eed80886e51..b0a1dd48628308d68db34cff3a4baa6784e52825 100644
--- a/Framework/DataObjects/src/ReflectometryTransform.cpp
+++ b/Framework/DataObjects/src/ReflectometryTransform.cpp
@@ -513,6 +513,7 @@ MatrixWorkspace_sptr ReflectometryTransform::executeNormPoly(
}
}
}
+ FractionalRebinning::finalizeFractionalRebin(*outWS);
outWS->finalize();
FractionalRebinning::normaliseOutput(outWS, inputWS);
// Set the output spectrum-detector mapping