/**
* Create an output histo workspace filled with data simulated with the fitting
* function.
* @param baseName :: The base name for the workspace
* @param function :: The function used for the calculation
* @param inputWorkspace :: The input workspace
* @param outputWorkspacePropertyName :: The property name
*/
boost::shared_ptr<API::Workspace> FitMD::createHistoOutputWorkspace(
const std::string &baseName, API::IFunction_sptr function,
API::IMDHistoWorkspace_const_sptr inputWorkspace,
const std::string &outputWorkspacePropertyName) {
// have to cast const away to be able to pass the workspace to the algorithm
API::IMDHistoWorkspace_sptr nonConstInputWS =
boost::const_pointer_cast<API::IMDHistoWorkspace,
const API::IMDHistoWorkspace>(inputWorkspace);
// evaluate the function on the input workspace
auto alg = API::AlgorithmFactory::Instance().create("EvaluateMDFunction", -1);
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("Function", function);
alg->setProperty("InputWorkspace", nonConstInputWS);
alg->setProperty("OutputWorkspace",
"__FitMD_createHistoOutputWorkspace_outputWorkspace");
alg->execute();
// get the result
API::IMDHistoWorkspace_sptr outputWorkspace =
alg->getProperty("OutputWorkspace");
// Store it
if (!outputWorkspacePropertyName.empty()) {
declareProperty(
new API::WorkspaceProperty<API::IMDHistoWorkspace>(
outputWorkspacePropertyName, "", Direction::Output),
"Name of the output Workspace holding resulting simulated spectrum");
m_manager->setPropertyValue(outputWorkspacePropertyName,
baseName + "Workspace");
m_manager->setProperty(outputWorkspacePropertyName, outputWorkspace);
}
return outputWorkspace;
}
/**
* Start fitting process.
*/
void MuonSequentialFitDialog::startFit()
{
if ( m_state != Stopped )
throw std::runtime_error("Couln't start: already running");
setState(Preparing);
// Explicitly run the file search. This might be needed when Start is clicked straigh after
// editing the run box. In that case, lost focus event might not be processed yet and search
// might not have been started yet. Otherwise, search is not done as the widget sees that it
// has not been changed. Taken from LoadDialog.cpp:124.
m_ui.runs->findFiles();
// Wait for file search to finish.
while ( m_ui.runs->isSearching() )
{
QApplication::processEvents();
}
// To process events from the finished thread
QApplication::processEvents();
// Validate input fields
if ( ! isInputValid() )
{
QMessageBox::critical(this, "Input is not valid",
"One or more input fields are invalid.\n\nInvalid fields are marked with a '*'.");
setState(Stopped);
return;
}
QStringList runFilenames = m_ui.runs->getFilenames();
const std::string label = m_ui.labelInput->text().toStdString();
const std::string labelGroupName = SEQUENTIAL_PREFIX + label;
AnalysisDataServiceImpl& ads = AnalysisDataService::Instance();
if ( ads.doesExist(labelGroupName) )
{
QMessageBox::StandardButton answer = QMessageBox::question(this, "Label already exists",
"Label you specified was used for one of the previous fits. Do you want to overwrite it?",
QMessageBox::Yes | QMessageBox::Cancel);
if ( answer != QMessageBox::Yes )
{
setState(Stopped);
return;
}
ads.deepRemoveGroup(labelGroupName);
}
// Create a group for label
ads.add(labelGroupName, boost::make_shared<WorkspaceGroup>());
// Tell progress bar how many iterations we will need to make and reset it
m_ui.progress->setRange( 0, runFilenames.size() );
m_ui.progress->setFormat("%p%");
m_ui.progress->setValue(0);
// Clear diagnosis table for new fit
m_ui.diagnosisTable->setRowCount(0);
// Get fit function as specified by user in the fit browser
IFunction_sptr fitFunction = FunctionFactory::Instance().createInitialized(
m_fitPropBrowser->getFittingFunction()->asString() );
// Whether we should use initial function for every fit
bool useInitFitFunction = (m_ui.paramTypeGroup->checkedButton() == m_ui.paramTypeInitial);
setState(Running);
m_stopRequested = false;
for ( auto fileIt = runFilenames.constBegin(); fileIt != runFilenames.constEnd(); ++fileIt )
{
// Process events (so that Stop button press is processed)
QApplication::processEvents();
// Stop if requested by user
if ( m_stopRequested )
break;
MatrixWorkspace_sptr ws;
try {
auto load = AlgorithmManager::Instance().create("MuonLoad");
load->initialize();
load->setChild(true);
load->setRethrows(true);
load->updatePropertyValues(*m_loadAlg);
load->setPropertyValue("Filename", fileIt->toStdString());
load->setPropertyValue("OutputWorkspace", "__YouDontSeeMeIAmNinja");
if (m_fitPropBrowser->rawData()) // TODO: or vice verca?
load->setPropertyValue("RebinParams", "");
load->execute();
ws = load->getProperty("OutputWorkspace");
} catch (...) {
QMessageBox::critical(
this, "Loading failed",
"Unable to load one of the files.\n\nCheck log for details");
break;
}
const std::string runTitle = getRunTitle(ws);
const std::string wsBaseName = labelGroupName + "_" + runTitle;
IFunction_sptr functionToFit;
if ( useInitFitFunction )
// Create a copy so that the original function is not changed
functionToFit = FunctionFactory::Instance().createInitialized( fitFunction->asString() );
else
// Use the same function over and over, so that previous fitted params are used for the next fit
functionToFit = fitFunction;
IAlgorithm_sptr fit = AlgorithmManager::Instance().create("Fit");
fit->setRethrows(true);
try
{
// Set function. Gets updated when fit is done.
fit->setProperty("Function", functionToFit);
fit->setProperty("InputWorkspace", ws);
fit->setProperty("Output", wsBaseName);
// We should have one spectra only in the workspace, so use the first one.
fit->setProperty("WorkspaceIndex", 0);
// Various properties from the fit prop. browser
fit->setProperty("StartX", m_fitPropBrowser->startX());
fit->setProperty("EndX", m_fitPropBrowser->endX());
fit->setProperty("Minimizer", m_fitPropBrowser->minimizer());
fit->setProperty("CostFunction", m_fitPropBrowser->costFunction());
fit->execute();
}
catch(...)
{
QMessageBox::critical(this, "Fitting failed",
"Unable to fit one of the files.\n\nCheck log for details");
break;
}
// Make sure created fit workspaces end-up in the group
// TODO: this really should use loop
ads.addToGroup(labelGroupName, wsBaseName + "_NormalisedCovarianceMatrix");
ads.addToGroup(labelGroupName, wsBaseName + "_Parameters");
ads.addToGroup(labelGroupName, wsBaseName + "_Workspace");
// Copy log values
auto fitWs = ads.retrieveWS<MatrixWorkspace>(wsBaseName + "_Workspace");
fitWs->copyExperimentInfoFrom(ws.get());
// Add information about the fit to the diagnosis table
addDiagnosisEntry(runTitle, fit->getProperty("OutputChi2OverDof"), functionToFit);
// Update progress
m_ui.progress->setFormat("%p% - " + QString::fromStdString(runTitle) );
m_ui.progress->setValue( m_ui.progress->value() + 1 );
}
setState(Stopped);
}
