FitObjectiveBuilder.cpp

Go to the documentation of this file.

//  ************************************************************************************************
//
//  BornAgain: simulate and fit reflection and scattering
//
//! @file      GUI/coregui/Views/FitWidgets/FitObjectiveBuilder.cpp
//! @brief     Implements class SimulationBuilder
//!
//! @homepage  http://www.bornagainproject.org
//! @license   GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors   Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
//  ************************************************************************************************
 
#include "GUI/coregui/Views/FitWidgets/FitObjectiveBuilder.h"
#include "Core/Fitting/FitObjective.h"
#include "Core/Fitting/ObjectiveMetric.h"
#include "Core/Simulation/ISimulation.h"
#include "Fit/Kernel/Minimizer.h"
#include "Fit/Minimizer/IMinimizer.h"
#include "GUI/coregui/Models/DataItem.h"
#include "GUI/coregui/Models/DomainSimulationBuilder.h"
#include "GUI/coregui/Models/FitParameterItems.h"
#include "GUI/coregui/Models/FitSuiteItem.h"
#include "GUI/coregui/Models/JobItem.h"
#include "GUI/coregui/Models/MinimizerItem.h"
#include "GUI/coregui/Models/RealDataItem.h"
#include "GUI/coregui/Views/FitWidgets/GUIFitObserver.h"
#include "GUI/coregui/utils/GUIHelpers.h"
 
FitObjectiveBuilder::FitObjectiveBuilder(JobItem* jobItem) : m_jobItem(jobItem)
{
    ASSERT(m_jobItem->fitSuiteItem());
}
 
FitObjectiveBuilder::~FitObjectiveBuilder() = default;
 
void FitObjectiveBuilder::runFit()
{
    m_fit_objective = createFitObjective();
 
    auto module = m_jobItem->fitSuiteItem()->minimizerContainerItem()->createMetric();
    m_fit_objective->setObjectiveMetric(std::move(module));
 
    if (m_observer) {
        fit_observer_t plot_observer = [&](const FitObjective& obj) { m_observer->update(&obj); };
        m_fit_objective->initPlot(1, plot_observer);
    }
 
    auto minimizer_impl = createMinimizer();
    const bool requires_residuals = minimizer_impl->requiresResiduals();
 
    mumufit::Minimizer minimizer;
    minimizer.setMinimizer(minimizer_impl.release());
 
    auto result = requires_residuals ? minimizer.minimize(
                      [&](const mumufit::Parameters& params) {
                          return m_fit_objective->evaluate_residuals(params);
                      },
                      createParameters())
                                     : minimizer.minimize(
                                         [&](const mumufit::Parameters& params) {
                                             return m_fit_objective->evaluate(params);
                                         },
                                         createParameters());
    m_fit_objective->finalize(result);
}
 
std::unique_ptr<FitObjective> FitObjectiveBuilder::createFitObjective() const
{
    std::unique_ptr<FitObjective> result(new FitObjective);
 
    simulation_builder_t builder = [&](const mumufit::Parameters& params) {
        return buildSimulation(params);
    };
 
    result->addSimulationAndData(builder, *createOutputData(), nullptr, 1.0);
 
    return result;
}
 
std::unique_ptr<IMinimizer> FitObjectiveBuilder::createMinimizer() const
{
    return m_jobItem->fitSuiteItem()->minimizerContainerItem()->createMinimizer();
}
 
mumufit::Parameters FitObjectiveBuilder::createParameters() const
{
    return m_jobItem->fitSuiteItem()->fitParameterContainerItem()->createParameters();
}
 
void FitObjectiveBuilder::attachObserver(std::shared_ptr<GUIFitObserver> observer)
{
    m_observer = observer;
}
 
void FitObjectiveBuilder::interruptFitting()
{
    m_fit_objective->interruptFitting();
}
 
std::unique_ptr<ISimulation>
FitObjectiveBuilder::buildSimulation(const mumufit::Parameters& params) const
{
    static std::mutex build_simulation_mutex;
    std::unique_lock<std::mutex> lock(build_simulation_mutex);
 
    update_fit_parameters(params);
    return DomainSimulationBuilder::createSimulation(m_jobItem->multiLayerItem(),
                                                     m_jobItem->instrumentItem(),
                                                     m_jobItem->simulationOptionsItem());
}
 
std::unique_ptr<OutputData<double>> FitObjectiveBuilder::createOutputData() const
{
    auto realDataItem = m_jobItem->realDataItem();
    if (!realDataItem)
        throw GUIHelpers::Error("FitObjectiveBuilder::createOutputData() -> No Real Data defined.");
 
    const DataItem* intensity_item = realDataItem->dataItem();
    ASSERT(intensity_item);
    ASSERT(intensity_item->getOutputData());
 
    return std::unique_ptr<OutputData<double>>(intensity_item->getOutputData()->clone());
}
 
void FitObjectiveBuilder::update_fit_parameters(const mumufit::Parameters& params) const
{
    QVector<double> values = GUIHelpers::fromStdVector(params.values());
 
    auto fitParContainer = m_jobItem->fitParameterContainerItem();
    fitParContainer->setValuesInParameterContainer(values, m_jobItem->parameterContainerItem());
}