TEST(FunctionFactoryTest, CreateCompositeFunctionTest) { std::string ini = "CompositeFunction(" "FunctionFactoryTestFunction(A=10,B=20)," "FunctionFactoryTestFunction(A=30,B=40)" ")"; IFunction_sptr fun = FunctionFactory::instance().createFitFunction(ini); EXPECT_TRUE( fun.get() != nullptr ); CompositeFunction_sptr cf = boost::dynamic_pointer_cast<CompositeFunction>(fun); EXPECT_TRUE( cf.get() != nullptr ); EXPECT_EQ( cf->nFunctions(), 2 ); auto f1 = cf->getFunction(0); auto f2 = cf->getFunction(1); EXPECT_EQ(f1->getParameter("A"),10); EXPECT_EQ(f1->getParameter("B"),20); EXPECT_EQ(f2->getParameter("A"),30); EXPECT_EQ(f2->getParameter("B"),40); EXPECT_EQ(cf->getParameter("f0.A"),10); EXPECT_EQ(cf->getParameter("f0.B"),20); EXPECT_EQ(cf->getParameter("f1.A"),30); EXPECT_EQ(cf->getParameter("f1.B"),40); std::cerr << '\n' << fun->asString(true) << '\n' << std::endl; IFunction_sptr fun1 = FunctionFactory::instance().createFitFunction(ini); EXPECT_TRUE( fun1.get() != nullptr ); cf = boost::dynamic_pointer_cast<CompositeFunction>(fun1); EXPECT_TRUE( cf.get() != nullptr ); EXPECT_EQ( cf->nFunctions(), 2 ); EXPECT_EQ(cf->getParameter("f0.A"),10); EXPECT_EQ(cf->getParameter("f0.B"),20); EXPECT_EQ(cf->getParameter("f1.A"),30); EXPECT_EQ(cf->getParameter("f1.B"),40); }
/** Set parameter fitting setup (boundary, fix or unfix) to function from Parameter map */ void RefinePowderInstrumentParameters2::setFunctionParameterFitSetups(IFunction_sptr function, map<string, Parameter> params) { // 1. Prepare vector<string> funparamnames = m_positionFunc->getParameterNames(); // 2. Set up std::map<std::string, Parameter>::iterator paramiter; for (size_t i = 0; i < funparamnames.size(); ++i) { string parname = funparamnames[i]; paramiter = params.find(parname); if (paramiter != params.end()) { // Found, set up the parameter Parameter& param = paramiter->second; if (param.fit) { // If fit. Unfix it and set up constraint function->unfix(i); double lowerbound = param.minvalue; double upperbound = param.maxvalue; if (lowerbound >= -DBL_MAX*0.1 || upperbound <= DBL_MAX*0.1) { // If there is a boundary BoundaryConstraint *bc = new BoundaryConstraint(function.get(), parname, lowerbound, upperbound, false); function->addConstraint(bc); } } else { // If fix. function->fix(i); } } else { // Not found and thus quit stringstream errss; errss << "Peak profile parameter " << parname << " is not found in input parameters. "; g_log.error(errss.str()); throw runtime_error(errss.str()); } } // ENDFOR parameter name g_log.notice() << "Fit function:\n" << function->asString() << "\n"; return; }
/** * 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); }