diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/QENSFitSequential.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/QENSFitSequential.h
index 6feb6c897f029b309402514f69af60ac5e2c36f7..9b14cb0459158bfbf081e251696f4a22952d131a 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/QENSFitSequential.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/QENSFitSequential.h
@@ -45,6 +45,7 @@ private:
API::ITableWorkspace_sptr performFit(const std::string &input,
const std::string &output);
void deleteTemporaryWorkspaces(const std::string &outputBaseName);
+ void addAdditionalLogs(API::WorkspaceGroup_sptr resultWorkspace);
void addAdditionalLogs(API::Workspace_sptr result);
virtual bool throwIfElasticQConversionFails() const;
@@ -75,10 +76,14 @@ private:
std::vector<std::string> const &spectra,
std::string const &outputBaseName,
std::string const &endOfSuffix);
- void copyLogs(API::WorkspaceGroup_sptr resultWorkspace,
- const std::vector<API::MatrixWorkspace_sptr> &workspaces);
+ void copyLogs(API::WorkspaceGroup_sptr resultWorkspaces,
+ std::vector<API::MatrixWorkspace_sptr> const &workspaces);
+ void copyLogs(API::Workspace_sptr resultWorkspace,
+ std::vector<API::MatrixWorkspace_sptr> const &workspaces);
void copyLogs(API::MatrixWorkspace_sptr resultWorkspace,
API::WorkspaceGroup_sptr resultGroup);
+ void copyLogs(API::MatrixWorkspace_sptr resultWorkspace,
+ API::Workspace_sptr resultGroup);
void extractMembers(API::WorkspaceGroup_sptr resultGroupWs,
const std::vector<API::MatrixWorkspace_sptr> &workspaces,
const std::string &outputWsName);
diff --git a/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
index 7ae364b380dcbac91d31a2ab8455841b5767c400..a45856b9eb0834ed88c2a76e380dd048b0987b79 100644
--- a/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
+++ b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
@@ -220,9 +220,9 @@ void PlotPeakByLogValue::exec() {
setProperty("OutputWorkspace", result);
- std::vector<std::string> covariance_workspaces;
- std::vector<std::string> fit_workspaces;
- std::vector<std::string> parameter_workspaces;
+ std::vector<MatrixWorkspace_sptr> fitWorkspaces;
+ std::vector<ITableWorkspace_sptr> parameterWorkspaces;
+ std::vector<ITableWorkspace_sptr> covarianceWorkspaces;
double dProg = 1. / static_cast<double>(wsNames.size());
double Prog = 0.;
@@ -250,9 +250,9 @@ void PlotPeakByLogValue::exec() {
}
if (createFitOutput) {
- covariance_workspaces.reserve(covariance_workspaces.size() + jend);
- fit_workspaces.reserve(fit_workspaces.size() + jend);
- parameter_workspaces.reserve(parameter_workspaces.size() + jend);
+ covarianceWorkspaces.reserve(covarianceWorkspaces.size() + jend);
+ fitWorkspaces.reserve(fitWorkspaces.size() + jend);
+ parameterWorkspaces.reserve(parameterWorkspaces.size() + jend);
}
dProg /= abs(jend - j);
@@ -305,8 +305,7 @@ void PlotPeakByLogValue::exec() {
bool ignoreInvalidData = getProperty("IgnoreInvalidData");
// Fit the function
- API::IAlgorithm_sptr fit =
- AlgorithmManager::Instance().createUnmanaged("Fit");
+ auto fit = this->createChildAlgorithm("Fit");
fit->initialize();
fit->setPropertyValue("EvaluationType",
getPropertyValue("EvaluationType"));
@@ -341,15 +340,18 @@ void PlotPeakByLogValue::exec() {
chi2 = fit->getProperty("OutputChi2overDoF");
if (createFitOutput) {
- covariance_workspaces.push_back(wsBaseName +
- "_NormalisedCovarianceMatrix");
- parameter_workspaces.push_back(wsBaseName + "_Parameters");
- fit_workspaces.push_back(wsBaseName + "_Workspace");
+ MatrixWorkspace_sptr outputFitWorkspace =
+ fit->getProperty("OutputWorkspace");
+ ITableWorkspace_sptr outputParamWorkspace =
+ fit->getProperty("OutputParameters");
+ ITableWorkspace_sptr outputCovarianceWorkspace =
+ fit->getProperty("OutputNormalisedCovarianceMatrix");
+ fitWorkspaces.emplace_back(outputFitWorkspace);
+ parameterWorkspaces.emplace_back(outputParamWorkspace);
+ covarianceWorkspaces.emplace_back(outputCovarianceWorkspace);
}
-
g_log.debug() << "Fit result " << fit->getPropertyValue("OutputStatus")
<< ' ' << chi2 << '\n';
-
} catch (...) {
g_log.error("Error in Fit ChildAlgorithm");
throw;
@@ -378,37 +380,33 @@ void PlotPeakByLogValue::exec() {
ifun->setParameter(i, initialParams[i]);
}
}
-
} // for(;j < jend;++j)
}
if (createFitOutput) {
// collect output of fit for each spectrum into workspace groups
- API::IAlgorithm_sptr groupAlg =
- AlgorithmManager::Instance().createUnmanaged("GroupWorkspaces");
- groupAlg->initialize();
- groupAlg->setProperty("InputWorkspaces", covariance_workspaces);
- groupAlg->setProperty("OutputWorkspace",
- m_baseName + "_NormalisedCovarianceMatrices");
- groupAlg->execute();
-
- groupAlg = AlgorithmManager::Instance().createUnmanaged("GroupWorkspaces");
- groupAlg->initialize();
- groupAlg->setProperty("InputWorkspaces", parameter_workspaces);
- groupAlg->setProperty("OutputWorkspace", m_baseName + "_Parameters");
- groupAlg->execute();
-
- groupAlg = AlgorithmManager::Instance().createUnmanaged("GroupWorkspaces");
- groupAlg->initialize();
- groupAlg->setProperty("InputWorkspaces", fit_workspaces);
- groupAlg->setProperty("OutputWorkspace", m_baseName + "_Workspaces");
- groupAlg->execute();
+ WorkspaceGroup_sptr covarianceGroup = boost::make_shared<WorkspaceGroup>();
+ for (auto const &workspace : covarianceWorkspaces)
+ covarianceGroup->addWorkspace(workspace);
+ AnalysisDataService::Instance().addOrReplace(
+ m_baseName + "_NormalisedCovarianceMatrices", covarianceGroup);
+
+ WorkspaceGroup_sptr parameterGroup = boost::make_shared<WorkspaceGroup>();
+ for (auto const &workspace : parameterWorkspaces)
+ parameterGroup->addWorkspace(workspace);
+ AnalysisDataService::Instance().addOrReplace(m_baseName + "_Parameters",
+ parameterGroup);
+
+ WorkspaceGroup_sptr fitGroup = boost::make_shared<WorkspaceGroup>();
+ for (auto const &workspace : fitWorkspaces)
+ fitGroup->addWorkspace(workspace);
+ AnalysisDataService::Instance().addOrReplace(m_baseName + "_Workspaces",
+ fitGroup);
}
for (auto &minimizerWorkspace : m_minimizerWorkspaces) {
const std::string paramName = minimizerWorkspace.first;
- API::IAlgorithm_sptr groupAlg =
- AlgorithmManager::Instance().createUnmanaged("GroupWorkspaces");
+ auto groupAlg = this->createChildAlgorithm("GroupWorkspaces");
groupAlg->initialize();
groupAlg->setProperty("InputWorkspaces", minimizerWorkspace.second);
groupAlg->setProperty("OutputWorkspace", m_baseName + "_" + paramName);
diff --git a/Framework/CurveFitting/src/Algorithms/QENSFitSequential.cpp b/Framework/CurveFitting/src/Algorithms/QENSFitSequential.cpp
index 73bc15b98fe2be28bf1163bf05b07d5c0f5aa486..90165ffd3af82be1294b61294b1f32e7c5caf0af 100644
--- a/Framework/CurveFitting/src/Algorithms/QENSFitSequential.cpp
+++ b/Framework/CurveFitting/src/Algorithms/QENSFitSequential.cpp
@@ -563,6 +563,11 @@ QENSFitSequential::getAdditionalLogNumbers() const {
return logs;
}
+void QENSFitSequential::addAdditionalLogs(WorkspaceGroup_sptr resultWorkspace) {
+ for (const auto &workspace : *resultWorkspace)
+ addAdditionalLogs(workspace);
+}
+
void QENSFitSequential::addAdditionalLogs(Workspace_sptr resultWorkspace) {
auto logAdder = createChildAlgorithm("AddSampleLog", -1.0, -1.0, false);
logAdder->setProperty("Workspace", resultWorkspace);
@@ -759,12 +764,19 @@ void QENSFitSequential::extractMembers(
}
void QENSFitSequential::copyLogs(
- WorkspaceGroup_sptr resultWorkspace,
- const std::vector<MatrixWorkspace_sptr> &workspaces) {
+ WorkspaceGroup_sptr resultWorkspaces,
+ std::vector<MatrixWorkspace_sptr> const &workspaces) {
+ for (auto const &resultWorkspace : *resultWorkspaces)
+ copyLogs(resultWorkspace, workspaces);
+}
+
+void QENSFitSequential::copyLogs(
+ Workspace_sptr resultWorkspace,
+ std::vector<MatrixWorkspace_sptr> const &workspaces) {
auto logCopier = createChildAlgorithm("CopyLogs", -1.0, -1.0, false);
logCopier->setProperty("OutputWorkspace", resultWorkspace->getName());
- for (const auto &workspace : workspaces) {
+ for (auto const &workspace : workspaces) {
logCopier->setProperty("InputWorkspace", workspace);
logCopier->executeAsChildAlg();
}
@@ -772,6 +784,12 @@ void QENSFitSequential::copyLogs(
void QENSFitSequential::copyLogs(MatrixWorkspace_sptr resultWorkspace,
WorkspaceGroup_sptr resultGroup) {
+ for (auto const &workspace : *resultGroup)
+ copyLogs(resultWorkspace, workspace);
+}
+
+void QENSFitSequential::copyLogs(MatrixWorkspace_sptr resultWorkspace,
+ Workspace_sptr resultGroup) {
auto logCopier = createChildAlgorithm("CopyLogs", -1.0, -1.0, false);
logCopier->setProperty("InputWorkspace", resultWorkspace);
logCopier->setProperty("OutputWorkspace", resultGroup->getName());
diff --git a/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h b/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
index 87afe3c32e1d582f8c6708b44aac9880bd6ff9d6..2cf1a3d7415a0b03d087244c67dcba4aa19d3602 100644
--- a/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
+++ b/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
@@ -539,34 +539,20 @@ public:
TS_ASSERT(fits);
if (fits->size() > 0) {
- // Get the Fit algorithm history
auto fit = fits->getItem(0);
- const auto &wsHistory = fit->getHistory();
- const auto &child = wsHistory.getAlgorithmHistory(0);
- TS_ASSERT_EQUALS(child->name(), "Fit");
- const auto &properties = child->getProperties();
-
- // Check max iterations property
- PropertyNameIs maxIterationsCheck("MaxIterations");
- auto prop = std::find_if(properties.begin(), properties.end(),
- maxIterationsCheck);
- TS_ASSERT_EQUALS((*prop)->value(), "50");
-
- // Check minimizer property
- PropertyNameIs minimizerCheck("Minimizer");
- prop = std::find_if(properties.begin(), properties.end(), minimizerCheck);
- TS_ASSERT_EQUALS((*prop)->value(),
- "Levenberg-Marquardt,AbsError=0.01,RelError=1");
+ TS_ASSERT_EQUALS(fit->history().size(), 0);
+ TS_ASSERT_EQUALS(fit->getName(), "PlotPeakResult_Workspaces_1");
}
AnalysisDataService::Instance().clear();
}
- void test_histogram_fit() {
+ void test_parameters_are_correct_for_a_histogram_fit() {
createHistogramWorkspace("InputWS", 10, -10.0, 10.0);
PlotPeakByLogValue alg;
alg.initialize();
+ alg.setAlwaysStoreInADS(false);
alg.setProperty("EvaluationType", "Histogram");
alg.setPropertyValue("Input", "InputWS,v1:3");
alg.setPropertyValue("OutputWorkspace", "out");
@@ -574,23 +560,10 @@ public:
alg.setPropertyValue("Function", "name=FlatBackground,A0=2");
alg.execute();
- {
- auto params = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
- "InputWS_0_Parameters");
- TS_ASSERT_DELTA(params->Double(0, 1), 1.0, 1e-15);
- }
-
- {
- auto params = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
- "InputWS_1_Parameters");
- TS_ASSERT_DELTA(params->Double(0, 1), 1.1, 1e-15);
- }
-
- {
- auto params = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
- "InputWS_2_Parameters");
- TS_ASSERT_DELTA(params->Double(0, 1), 0.6, 1e-15);
- }
+ ITableWorkspace_sptr params = alg.getProperty("OutputWorkspace");
+ TS_ASSERT_DELTA(params->Double(0, 1), 1.0, 1e-15);
+ TS_ASSERT_DELTA(params->Double(1, 1), 1.1, 1e-15);
+ TS_ASSERT_DELTA(params->Double(2, 1), 0.6, 1e-15);
AnalysisDataService::Instance().clear();
}
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/EnergyWindowScanTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/EnergyWindowScanTest.py
index 5bcf829c098f6fcea4ab149d79880410d291dafb..469f00cdfb2892b9fca96552dce51b169dd2f5bd 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/EnergyWindowScanTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/EnergyWindowScanTest.py
@@ -26,15 +26,17 @@ class EnergyWindowScanTest(unittest.TestCase):
InelasticRange='0, 1.5', GroupingMethod='All')
self.assertEqual(round(mtd['Scan_el_eq1'].readY(0)[0], 7), 0)
- self.assertEqual(round(mtd['Scan_inel_eq2'].readY(0)[0], 7), -6.8454638)
+ self.assertEqual(
+ round(
+ mtd['Scan_inel_eq2'].readY(0)[0], 7), -6.8454638)
def test_MSDFit(self):
EnergyWindowScan(InputFiles="IRS26176.RAW", Instrument='IRIS', Analyser='graphite',
Reflection='002', SpectraRange='3, 50', ElasticRange='-0.5, 0',
InelasticRange='0, 0.5', GroupingMethod='Individual', MSDFit=True)
- scan_ws = mtd['Scan_el_eq1_Gauss_0_Workspace']
- self.assertEqual(round(scan_ws.readY(0)[0], 7), 0.0844171)
- self.assertEqual(round(scan_ws.readY(0)[1], 7), 0.0963181)
+ scan_ws = mtd['Scan_msd_fit']
+ self.assertEqual(round(scan_ws[0].readY(0)[0], 7), 0.0844171)
+ self.assertEqual(round(scan_ws[0].readY(0)[1], 7), 0.0963181)
if __name__ == '__main__':
diff --git a/qt/scientific_interfaces/Indirect/ConvFitModel.cpp b/qt/scientific_interfaces/Indirect/ConvFitModel.cpp
index 3cbdc9996f5d07df3e26617d2496580d3af9ce4c..0b73a54635633b0efb74c652aadde16dd3415281 100644
--- a/qt/scientific_interfaces/Indirect/ConvFitModel.cpp
+++ b/qt/scientific_interfaces/Indirect/ConvFitModel.cpp
@@ -19,6 +19,11 @@ using namespace Mantid::API;
namespace {
+MatrixWorkspace_sptr getADSMatrixWorkspace(std::string const &workspaceName) {
+ return AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ workspaceName);
+}
+
boost::optional<std::size_t>
getFirstInCategory(CompositeFunction_const_sptr composite,
const std::string &category) {
@@ -110,13 +115,11 @@ CompositeFunction_sptr addTemperatureCorrection(IFunction_sptr model,
return applyTemperatureCorrection(model, correction, value);
}
-IAlgorithm_sptr loadParameterFileAlgorithm(MatrixWorkspace_sptr workspace,
- const std::string &filename) {
- IAlgorithm_sptr loadParamFile =
- AlgorithmManager::Instance().create("LoadParameterFile");
- loadParamFile->setChild(true);
+IAlgorithm_sptr loadParameterFileAlgorithm(std::string const &workspaceName,
+ std::string const &filename) {
+ auto loadParamFile = AlgorithmManager::Instance().create("LoadParameterFile");
loadParamFile->initialize();
- loadParamFile->setProperty("Workspace", workspace);
+ loadParamFile->setProperty("Workspace", workspaceName);
loadParamFile->setProperty("Filename", filename);
return loadParamFile;
}
@@ -130,8 +133,8 @@ void readAnalyserFromFile(const std::string &analyser,
auto const parameterFile = idfDirectory + instrument->getName() + "_" +
analyser + "_" + reflection + "_Parameters.xml";
- IAlgorithm_sptr loadParamFile =
- loadParameterFileAlgorithm(workspace, parameterFile);
+ auto loadParamFile =
+ loadParameterFileAlgorithm(workspace->getName(), parameterFile);
loadParamFile->execute();
if (!loadParamFile->isExecuted())
@@ -170,37 +173,50 @@ boost::optional<double> instrumentResolution(MatrixWorkspace_sptr workspace) {
}
}
-MatrixWorkspace_sptr cloneWorkspace(MatrixWorkspace_sptr inputWS) {
- IAlgorithm_sptr cloneAlg =
- AlgorithmManager::Instance().create("CloneWorkspace");
+MatrixWorkspace_sptr cloneWorkspace(MatrixWorkspace_sptr inputWS,
+ std::string const &outputName) {
+ auto cloneAlg = AlgorithmManager::Instance().create("CloneWorkspace");
cloneAlg->setLogging(false);
- cloneAlg->setChild(true);
cloneAlg->initialize();
cloneAlg->setProperty("InputWorkspace", inputWS);
- cloneAlg->setProperty("OutputWorkspace", "__cloned");
+ cloneAlg->setProperty("OutputWorkspace", outputName);
cloneAlg->execute();
- Workspace_sptr workspace = cloneAlg->getProperty("OutputWorkspace");
- return boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
+ return getADSMatrixWorkspace(outputName);
}
MatrixWorkspace_sptr appendWorkspace(MatrixWorkspace_sptr leftWS,
MatrixWorkspace_sptr rightWS,
- int numHistograms) {
- IAlgorithm_sptr appendAlg =
- AlgorithmManager::Instance().create("AppendSpectra");
+ int numHistograms,
+ std::string const &outputName) {
+ auto appendAlg = AlgorithmManager::Instance().create("AppendSpectra");
appendAlg->setLogging(false);
- appendAlg->setChild(true);
appendAlg->initialize();
appendAlg->setProperty("InputWorkspace1", leftWS);
appendAlg->setProperty("InputWorkspace2", rightWS);
appendAlg->setProperty("Number", numHistograms);
- appendAlg->setProperty("OutputWorkspace", "__appended");
+ appendAlg->setProperty("OutputWorkspace", outputName);
appendAlg->execute();
- return appendAlg->getProperty("OutputWorkspace");
+ return getADSMatrixWorkspace(outputName);
+}
+
+void renameWorkspace(std::string const &name, std::string const &newName) {
+ auto renamer = AlgorithmManager::Instance().create("RenameWorkspace");
+ renamer->setLogging(false);
+ renamer->setProperty("InputWorkspace", name);
+ renamer->setProperty("OutputWorkspace", newName);
+ renamer->execute();
}
-MatrixWorkspace_sptr extendResolutionWorkspace(MatrixWorkspace_sptr resolution,
- std::size_t numberOfHistograms) {
+void deleteWorkspace(std::string const &workspaceName) {
+ auto deleter = AlgorithmManager::Instance().create("DeleteWorkspace");
+ deleter->setLogging(false);
+ deleter->setProperty("Workspace", workspaceName);
+ deleter->execute();
+}
+
+void extendResolutionWorkspace(MatrixWorkspace_sptr resolution,
+ std::size_t numberOfHistograms,
+ std::string const &outputName) {
const auto resolutionNumHist = resolution->getNumberHistograms();
if (resolutionNumHist != 1 && resolutionNumHist != numberOfHistograms) {
std::string msg(
@@ -208,13 +224,15 @@ MatrixWorkspace_sptr extendResolutionWorkspace(MatrixWorkspace_sptr resolution,
throw std::runtime_error(msg);
}
- auto resolutionWS = cloneWorkspace(resolution);
+ auto resolutionWS = cloneWorkspace(resolution, "__cloned");
// Append to cloned workspace if necessary
- if (resolutionNumHist == 1 && numberOfHistograms > 1)
- return appendWorkspace(resolutionWS, resolution,
- static_cast<int>(numberOfHistograms - 1));
- return resolutionWS;
+ if (resolutionNumHist == 1 && numberOfHistograms > 1) {
+ appendWorkspace(resolutionWS, resolution,
+ static_cast<int>(numberOfHistograms - 1), outputName);
+ deleteWorkspace("__cloned");
+ } else
+ renameWorkspace("__cloned", outputName);
}
void getParameterNameChanges(
@@ -535,8 +553,7 @@ void ConvFitModel::removeWorkspace(std::size_t index) {
}
void ConvFitModel::setResolution(const std::string &name, std::size_t index) {
- setResolution(
- AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(name), index);
+ setResolution(getADSMatrixWorkspace(name), index);
}
void ConvFitModel::setResolution(MatrixWorkspace_sptr resolution,
@@ -555,9 +572,9 @@ void ConvFitModel::setResolution(MatrixWorkspace_sptr resolution,
void ConvFitModel::addExtendedResolution(std::size_t index) {
const std::string name = "__ConvFitResolution" + std::to_string(index);
- AnalysisDataService::Instance().addOrReplace(
- name, extendResolutionWorkspace(m_resolution[index].lock(),
- getNumberHistograms(index)));
+
+ extendResolutionWorkspace(m_resolution[index].lock(),
+ getNumberHistograms(index), name);
if (m_extendedResolution.size() > index)
m_extendedResolution[index] = name;
diff --git a/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp b/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
index e5e1909e15c11d95d7718017c7783399d9ef9ce0..b951e21d383883748b16ec59805aa6fda0301adf 100644
--- a/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
+++ b/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
@@ -6,6 +6,7 @@
// SPDX - License - Identifier: GPL - 3.0 +
#include "IndirectFitOutput.h"
+#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/TextAxis.h"
@@ -135,17 +136,23 @@ std::vector<std::string> getAxisLabels(MatrixWorkspace_sptr workspace,
return std::vector<std::string>();
}
+void renameWorkspace(std::string const &name, std::string const &newName) {
+ auto renamer = AlgorithmManager::Instance().create("RenameWorkspace");
+ renamer->setProperty("InputWorkspace", name);
+ renamer->setProperty("OutputWorkspace", newName);
+ renamer->execute();
+}
+
void renameResult(Workspace_sptr resultWorkspace,
const std::string &workspaceName) {
- AnalysisDataService::Instance().rename(resultWorkspace->getName(),
- workspaceName + "_Result");
+ renameWorkspace(resultWorkspace->getName(), workspaceName + "_Result");
}
void renameResult(Workspace_sptr resultWorkspace,
IndirectFitData const *fitData) {
const auto name = resultWorkspace->getName();
const auto newName = fitData->displayName("%1%_s%2%_Result", "_to_");
- AnalysisDataService::Instance().rename(name, newName);
+ renameWorkspace(name, newName);
}
void renameResultWithoutSpectra(WorkspaceGroup_sptr resultWorkspace,
diff --git a/qt/scientific_interfaces/Indirect/JumpFitModel.cpp b/qt/scientific_interfaces/Indirect/JumpFitModel.cpp
index 22e3cba12161f4b333db7d437af880cfc0c41c7a..d55b93d8cd6d00b7db3044f9efd3483490f58a31 100644
--- a/qt/scientific_interfaces/Indirect/JumpFitModel.cpp
+++ b/qt/scientific_interfaces/Indirect/JumpFitModel.cpp
@@ -80,89 +80,101 @@ JumpFitParameters createJumpFitParameters(MatrixWorkspace *workspace) {
return parameters;
}
-MatrixWorkspace_sptr scaleWorkspace(MatrixWorkspace_sptr workspace,
- double factor) {
+void deleteTemporaryWorkspaces(std::vector<std::string> const &workspaceNames) {
+ auto deleter = AlgorithmManager::Instance().create("DeleteWorkspace");
+ deleter->setLogging(false);
+ for (auto const &name : workspaceNames) {
+ deleter->setProperty("Workspace", name);
+ deleter->execute();
+ }
+}
+
+std::string scaleWorkspace(std::string const &inputName,
+ std::string const &outputName, double factor) {
auto scaleAlg = AlgorithmManager::Instance().create("Scale");
scaleAlg->initialize();
scaleAlg->setLogging(false);
- scaleAlg->setChild(true);
- scaleAlg->setProperty("InputWorkspace", workspace);
- scaleAlg->setProperty("OutputWorkspace", "__scaled");
+ scaleAlg->setProperty("InputWorkspace", inputName);
+ scaleAlg->setProperty("OutputWorkspace", outputName);
scaleAlg->setProperty("Factor", factor);
scaleAlg->execute();
- return scaleAlg->getProperty("OutputWorkspace");
+ return outputName;
}
-MatrixWorkspace_sptr extractSpectra(MatrixWorkspace_sptr workspace,
- int startIndex, int endIndex) {
+std::string extractSpectra(std::string const &inputName, int startIndex,
+ int endIndex, std::string const &outputName) {
auto extractAlg = AlgorithmManager::Instance().create("ExtractSpectra");
extractAlg->initialize();
- extractAlg->setChild(true);
extractAlg->setLogging(false);
- extractAlg->setProperty("InputWorkspace", workspace);
+ extractAlg->setProperty("InputWorkspace", inputName);
extractAlg->setProperty("StartWorkspaceIndex", startIndex);
extractAlg->setProperty("EndWorkspaceIndex", endIndex);
- extractAlg->setProperty("OutputWorkspace", "__extracted");
+ extractAlg->setProperty("OutputWorkspace", outputName);
extractAlg->execute();
- return extractAlg->getProperty("OutputWorkspace");
+ return outputName;
}
-MatrixWorkspace_sptr extractSpectrum(MatrixWorkspace_sptr workspace,
- int index) {
- return extractSpectra(workspace, index, index);
+std::string extractSpectrum(MatrixWorkspace_sptr workspace, int index,
+ std::string const &outputName) {
+ return extractSpectra(workspace->getName(), index, index, outputName);
}
-MatrixWorkspace_sptr extractHWHMSpectrum(MatrixWorkspace_sptr workspace,
- int index) {
- return scaleWorkspace(extractSpectrum(workspace, index), 0.5);
+std::string extractHWHMSpectrum(MatrixWorkspace_sptr workspace, int index) {
+ auto const scaledName = "__scaled_" + std::to_string(index);
+ auto const extractedName = "__extracted_" + std::to_string(index);
+ auto const outputName = scaleWorkspace(
+ extractSpectrum(workspace, index, extractedName), scaledName, 0.5);
+ deleteTemporaryWorkspaces({extractedName});
+ return outputName;
}
-MatrixWorkspace_sptr appendWorkspace(MatrixWorkspace_sptr lhs,
- MatrixWorkspace_sptr rhs) {
+std::string appendWorkspace(std::string const &lhsName,
+ std::string const &rhsName,
+ std::string const &outputName) {
auto appendAlg = AlgorithmManager::Instance().create("AppendSpectra");
appendAlg->initialize();
- appendAlg->setChild(true);
appendAlg->setLogging(false);
- appendAlg->setProperty("InputWorkspace1", lhs);
- appendAlg->setProperty("InputWorkspace2", rhs);
- appendAlg->setProperty("OutputWorkspace", "__appended");
+ appendAlg->setProperty("InputWorkspace1", lhsName);
+ appendAlg->setProperty("InputWorkspace2", rhsName);
+ appendAlg->setProperty("OutputWorkspace", outputName);
appendAlg->execute();
- return appendAlg->getProperty("OutputWorkspace");
+ return outputName;
}
-MatrixWorkspace_sptr
-appendAll(const std::vector<MatrixWorkspace_sptr> &workspaces) {
- auto appended = workspaces.front();
+MatrixWorkspace_sptr appendAll(std::vector<std::string> const &workspaces,
+ std::string const &outputName) {
+ auto appended = workspaces[0];
for (auto i = 1u; i < workspaces.size(); ++i)
- appended = appendWorkspace(appended, workspaces[i]);
- return appended;
-}
-
-MatrixWorkspace_sptr addToADS(MatrixWorkspace_sptr workspace,
- const std::string &name) {
- AnalysisDataService::Instance().addOrReplace(name, workspace);
- return workspace;
+ appended = appendWorkspace(appended, workspaces[i], outputName);
+ return AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(appended);
}
-std::vector<MatrixWorkspace_sptr>
+std::vector<std::string>
subdivideWidthWorkspace(MatrixWorkspace_sptr workspace,
const std::vector<std::size_t> &widthSpectra) {
- std::vector<MatrixWorkspace_sptr> subworkspaces;
+ std::vector<std::string> subworkspaces;
subworkspaces.reserve(1 + 2 * widthSpectra.size());
int start = 0;
for (auto i = 0u; i < widthSpectra.size(); ++i) {
const auto spectrum = static_cast<int>(widthSpectra[i]);
- if (spectrum > start)
- subworkspaces.emplace_back(
- extractSpectra(workspace, start, spectrum - 1));
+ if (spectrum > start) {
+ auto const outputName = "__extracted_" + std::to_string(start) + "_to_" +
+ std::to_string(spectrum);
+ subworkspaces.emplace_back(extractSpectra(workspace->getName(), start,
+ spectrum - 1, outputName));
+ }
subworkspaces.emplace_back(extractHWHMSpectrum(workspace, spectrum));
start = spectrum + 1;
}
const int end = static_cast<int>(workspace->getNumberHistograms());
- if (start < end)
- subworkspaces.emplace_back(extractSpectra(workspace, start, end - 1));
+ if (start < end) {
+ auto const outputName =
+ "__extracted_" + std::to_string(start) + "_to_" + std::to_string(end);
+ subworkspaces.emplace_back(
+ extractSpectra(workspace->getName(), start, end - 1, outputName));
+ }
return subworkspaces;
}
@@ -176,10 +188,13 @@ createHWHMWorkspace(MatrixWorkspace_sptr workspace, const std::string &hwhmName,
hwhmName);
const auto subworkspaces = subdivideWidthWorkspace(workspace, widthSpectra);
- const auto hwhmWorkspace = appendAll(subworkspaces);
+ const auto hwhmWorkspace = appendAll(subworkspaces, hwhmName);
const auto axis = workspace->getAxis(1)->clone(hwhmWorkspace.get());
hwhmWorkspace->replaceAxis(1, dynamic_cast<TextAxis *>(axis));
- return addToADS(hwhmWorkspace, hwhmName);
+
+ deleteTemporaryWorkspaces(subworkspaces);
+
+ return hwhmWorkspace;
}
boost::optional<std::size_t>