diff --git a/qt/scientific_interfaces/Indirect/JumpFit.cpp b/qt/scientific_interfaces/Indirect/JumpFit.cpp
index b1f9e8558d7463d46a178ffe67012de90bbb09c3..6eec4353f4a68e8962f6a5f0eadbeea0a4982ad1 100644
--- a/qt/scientific_interfaces/Indirect/JumpFit.cpp
+++ b/qt/scientific_interfaces/Indirect/JumpFit.cpp
@@ -6,6 +6,7 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/TextAxis.h"
+#include "MantidAPI/WorkspaceGroup.h"
#include <boost/lexical_cast.hpp>
#include <string>
@@ -32,14 +33,14 @@ void JumpFit::setup() {
m_uiForm.treeSpace->addWidget(m_jfTree);
// Fitting range
- m_properties["QMin"] = m_dblManager->addProperty("QMin");
- m_properties["QMax"] = m_dblManager->addProperty("QMax");
+ m_properties["StartX"] = m_dblManager->addProperty("QMin");
+ m_properties["EndX"] = m_dblManager->addProperty("QMax");
- m_dblManager->setDecimals(m_properties["QMin"], NUM_DECIMALS);
- m_dblManager->setDecimals(m_properties["QMax"], NUM_DECIMALS);
+ m_dblManager->setDecimals(m_properties["StartX"], NUM_DECIMALS);
+ m_dblManager->setDecimals(m_properties["EndX"], NUM_DECIMALS);
- m_jfTree->addProperty(m_properties["QMin"]);
- m_jfTree->addProperty(m_properties["QMax"]);
+ m_jfTree->addProperty(m_properties["StartX"]);
+ m_jfTree->addProperty(m_properties["EndX"]);
m_properties["ChudleyElliot"] = createFunctionProperty("ChudleyElliot");
m_properties["HallRoss"] = createFunctionProperty("HallRoss");
@@ -114,10 +115,9 @@ void JumpFit::run() {
const QString functionName = m_uiForm.cbFunction->currentText();
setFitFunctions({functionName});
// Setup fit algorithm
- m_fitAlg = createFitAlgorithm(createPopulatedFunction(
+ auto fitAlg = createFitAlgorithm(createPopulatedFunction(
functionName.toStdString(), m_properties[functionName]));
- m_baseName = m_fitAlg->getPropertyValue("OutputWorkspace");
- runFitAlgorithm(m_fitAlg);
+ runFitAlgorithm(fitAlg);
}
/**
@@ -132,9 +132,13 @@ void JumpFit::algorithmComplete(bool error) {
m_uiForm.pbPlot->setEnabled(true);
m_uiForm.pbSave->setEnabled(true);
- // Get output workspace name
- const auto paramWsName = m_fitAlg->getPropertyValue("Output") + "_Parameters";
- IndirectFitAnalysisTab::fitAlgorithmComplete(paramWsName + "_Parameters");
+ // Process the parameters table
+ const auto paramWsName = m_baseName + "_Parameters";
+ const auto resultWsName = m_baseName + "_Result";
+ deleteWorkspaceAlgorithm(paramWsName)->execute();
+ renameWorkspaceAlgorithm(m_baseName, paramWsName)->execute();
+ processParametersAlgorithm(paramWsName, resultWsName)->execute();
+ IndirectFitAnalysisTab::fitAlgorithmComplete(paramWsName);
}
/**
@@ -173,20 +177,17 @@ void JumpFit::handleSampleInputReady(const QString &filename) {
m_uiForm.cbWidth->setEnabled(true);
std::string currentWidth = m_uiForm.cbWidth->currentText().toStdString();
setSelectedSpectrum(m_spectraList[currentWidth]);
+ setMinimumSpectrum(m_spectraList[currentWidth]);
+ setMaximumSpectrum(m_spectraList[currentWidth]);
QPair<double, double> res;
QPair<double, double> range = m_uiForm.ppPlotTop->getCurveRange("Sample");
- // Use the values from the instrument parameter file if we can
- if (getResolutionRangeFromWs(sample, res))
- setRangeSelector(qRangeSelector, m_properties["QMin"],
- m_properties["QMax"], res);
- else
- setRangeSelector(qRangeSelector, m_properties["QMin"],
- m_properties["QMax"], range);
-
- setPlotPropertyRange(qRangeSelector, m_properties["QMin"],
- m_properties["QMax"], range);
+ auto bounds = getResolutionRangeFromWs(sample, res) ? res : range;
+ setRangeSelector(qRangeSelector, m_properties["StartX"], m_properties["EndX"],
+ bounds);
+ setPlotPropertyRange(qRangeSelector, m_properties["StartX"],
+ m_properties["EndX"], range);
} else {
m_uiForm.cbWidth->setEnabled(false);
emit showMessageBox("Workspace doesn't appear to contain any width data");
@@ -266,8 +267,8 @@ void JumpFit::handleWidthChange(const QString &text) {
* @param max :: The new value of the upper guide
*/
void JumpFit::qRangeChanged(double min, double max) {
- m_dblManager->setValue(m_properties["QMin"], min);
- m_dblManager->setValue(m_properties["QMax"], max);
+ m_dblManager->setValue(m_properties["StartX"], min);
+ m_dblManager->setValue(m_properties["EndX"], max);
}
/**
@@ -281,10 +282,10 @@ void JumpFit::updateRS(QtProperty *prop, double val) {
auto qRangeSelector = m_uiForm.ppPlotTop->getRangeSelector("JumpFitQ");
- if (prop == m_properties["QMin"] || prop == m_properties["QMax"]) {
- auto bounds = qMakePair(m_dblManager->value(m_properties["QMin"]),
- m_dblManager->value(m_properties["QMax"]));
- setRangeSelector(qRangeSelector, m_properties["QMin"], m_properties["QMax"],
+ if (prop == m_properties["StartX"] || prop == m_properties["EndX"]) {
+ auto bounds = qMakePair(m_dblManager->value(m_properties["StartX"]),
+ m_dblManager->value(m_properties["EndX"]));
+ setRangeSelector(qRangeSelector, m_properties["StartX"], m_properties["EndX"],
bounds);
}
}
@@ -350,29 +351,67 @@ void JumpFit::plotGuess() {
IAlgorithm_sptr JumpFit::createFitAlgorithm(IFunction_sptr func) {
std::string widthText = m_uiForm.cbWidth->currentText().toStdString();
int width = m_spectraList[widthText];
- const auto sample =
- m_uiForm.dsSample->getCurrentDataName().toStdString() + "_HWHM";
- const auto startX = m_dblManager->value(m_properties["QMin"]);
- const auto endX = m_dblManager->value(m_properties["QMax"]);
+ const auto sample = inputWorkspace()->getName();
+ const auto startX = m_dblManager->value(m_properties["StartX"]);
+ const auto endX = m_dblManager->value(m_properties["EndX"]);
+ const auto baseName = getWorkspaceBasename(QString::fromStdString(sample));
+ m_baseName = baseName.toStdString() + "_" + func->name() + "_fit";
- auto fitAlg = AlgorithmManager::Instance().create("Fit");
+ auto fitAlg = AlgorithmManager::Instance().create("PlotPeakByLogValue");
fitAlg->initialize();
fitAlg->setProperty("Function", func->asString());
- fitAlg->setProperty("InputWorkspace", sample);
- fitAlg->setProperty("WorkspaceIndex", width);
- fitAlg->setProperty("IgnoreInvalidData", true);
+ fitAlg->setProperty("Input", sample + ",i" + std::to_string(width));
fitAlg->setProperty("StartX", startX);
fitAlg->setProperty("EndX", endX);
fitAlg->setProperty("CreateOutput", true);
- fitAlg->setProperty("Output", "__PlotGuessData");
+ fitAlg->setProperty("OutputWorkspace", m_baseName);
return fitAlg;
}
+/*
+ * Creates an algorithm for processing an output parameters workspace.
+ *
+ * @param parameterWSName The name of the parameters workspace.
+ * @return A processing algorithm.
+ */
+IAlgorithm_sptr
+JumpFit::processParametersAlgorithm(const std::string ¶meterWSName,
+ const std::string &resultWSName) {
+ const auto functionName = m_uiForm.cbFunction->currentText();
+ const auto parameters = getFunctionParameters(functionName);
+ const auto parameterNames = QStringList(parameters.toList()).join(",");
+
+ auto processAlg =
+ AlgorithmManager::Instance().create("ProcessIndirectFitParameters");
+ processAlg->setProperty("InputWorkspace", parameterWSName);
+ processAlg->setProperty("ColumnX", "axis-1");
+ processAlg->setProperty("XAxisUnit", "MomentumTransfer");
+ processAlg->setProperty("ParameterNames", parameterNames.toStdString());
+ processAlg->setProperty("OutputWorkspace", resultWSName);
+ return processAlg;
+}
+
+IAlgorithm_sptr
+JumpFit::deleteWorkspaceAlgorithm(const std::string &workspaceName) {
+ auto deleteAlg = AlgorithmManager::Instance().create("DeleteWorkspace");
+ deleteAlg->setProperty("Workspace", workspaceName);
+ return deleteAlg;
+}
+
+IAlgorithm_sptr
+JumpFit::renameWorkspaceAlgorithm(const std::string &workspaceToRename,
+ const std::string &newName) {
+ auto renameAlg = AlgorithmManager::Instance().create("RenameWorkspace");
+ renameAlg->setProperty("InputWorkspace", workspaceToRename);
+ renameAlg->setProperty("OutputWorkspace", newName);
+ return renameAlg;
+}
+
/**
* Handles mantid plotting
*/
void JumpFit::plotClicked() {
- std::string outWsName = m_fitAlg->getPropertyValue("Output") + "_Workspace";
+ std::string outWsName = m_baseName + "_Workspace";
IndirectFitAnalysisTab::plotResult(outWsName, "All");
}
@@ -380,7 +419,7 @@ void JumpFit::plotClicked() {
* Handles saving of workspace
*/
void JumpFit::saveClicked() {
- std::string outWsName = m_fitAlg->getPropertyValue("Output") + "_Workspace";
+ std::string outWsName = m_baseName + "_Workspace";
IndirectFitAnalysisTab::saveResult(outWsName);
}
diff --git a/qt/scientific_interfaces/Indirect/JumpFit.h b/qt/scientific_interfaces/Indirect/JumpFit.h
index 94325cf7bc9642fd9670745d5af83b3aade9eb52..14a58d27a6e6aa3d544a0c9653b4a3c7c0fe6a46 100644
--- a/qt/scientific_interfaces/Indirect/JumpFit.h
+++ b/qt/scientific_interfaces/Indirect/JumpFit.h
@@ -40,6 +40,7 @@ private slots:
/// Generates the plot guess data
void plotGuess();
/// Handles plotting and saving
+ void updatePlot() override;
void saveClicked();
void plotClicked();
@@ -48,10 +49,20 @@ protected:
Mantid::API::IAlgorithm_sptr
createFitAlgorithm(Mantid::API::IFunction_sptr func);
+ Mantid::API::IAlgorithm_sptr
+ processParametersAlgorithm(const std::string ¶meterWSName,
+ const std::string &resultWSName);
+
+ Mantid::API::IAlgorithm_sptr
+ deleteWorkspaceAlgorithm(const std::string &workspaceName);
+
+ Mantid::API::IAlgorithm_sptr
+ renameWorkspaceAlgorithm(const std::string &workspaceToRename,
+ const std::string &newName);
+
private:
void disablePlotGuess() override;
void enablePlotGuess() override;
- void updatePlot() override;
// The UI form
Ui::JumpFit m_uiForm;
@@ -62,7 +73,6 @@ private:
QtTreePropertyBrowser *m_jfTree;
std::string m_baseName;
- Mantid::API::IAlgorithm_sptr m_fitAlg;
};
} // namespace IDA
} // namespace CustomInterfaces