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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sim/Fitting/FitObjective.h
//! @brief Defines class FitObjective.
//!
//! @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)
//
// ************************************************************************************************
#ifndef BORNAGAIN_SIM_FITTING_FITOBJECTIVE_H
#define BORNAGAIN_SIM_FITTING_FITOBJECTIVE_H
#include "Sim/Fitting/FitTypes.h"
#include <string>
#include <vector>
class Datafield;
class FitStatus;
class IChiSquaredModule;
class IMetricWrapper;
class IterationInfo;
class ObjectiveMetric;
class PyBuilderCallback;
class PyObserverCallback;
class SimDataPair;
namespace mumufit {
class MinimizerResult;
class Parameters;
} // namespace mumufit
//! Holds vector of SimDataPair%s (experimental data and simulation results) for use in fitting.
//! Thereby supports simultaneous fitting of several data sets and model functions,
//! as demonstrated in example fit52/multiple_datasets.
class FitObjective {
public:
FitObjective();
~FitObjective();
void execSimulations(const mumufit::Parameters& params);
void setObjectiveMetric(const std::string& metric);
//! Sets objective metric to the FitObjective.
//! @param metric: metric name
//! @param norm: metric norm name (defaults to L2-norm)
void setObjectiveMetric(const std::string& metric, const std::string& norm);
//! Initializes printing to standard output on every_nth fit iteration.
void initPrint(int every_nth);
double evaluate(const mumufit::Parameters& params);
std::vector<double> evaluate_residuals(const mumufit::Parameters& params);
//! Should be explicitly called on last iteration to notify all observers.
void finalize(const mumufit::MinimizerResult& result);
//! Initializes observer callback to be called on every_nth fit iteration.
void initPlot(int every_nth, void* pCallable, PyCaller_t pCall);
Datafield simulationResult(size_t i_item = 0) const;
Datafield experimentalData(size_t i_item = 0) const;
Datafield relativeDifference(size_t i_item = 0) const;
Datafield absoluteDifference(size_t i_item = 0) const;
std::vector<double> flatExpData() const;
std::vector<double> flatSimData() const;
size_t nPairs() const;
IterationInfo iterationInfo() const;
#ifndef SWIG
//! Adds a C++ function which builds a simulation.
void addFitPair(const simulation_builder_t& sim_fn, const Datafield& expData,
const double weight = 1.0);
//! Adds a Python function which builds a simulation.
//! Calls from Python pass through overloaded function defined in libBornAgainSim.i.
void addFitPair(void* pSimulationCallable, PySimulate_t pSimulationCaller, PyFree_t pFree,
const Datafield& expData, const double weight = 1.0);
void setChiSquaredModule(const IChiSquaredModule& module);
void setObjectiveMetric(std::unique_ptr<ObjectiveMetric> metric);
bool containsUncertainties(size_t i_item) const;
bool allPairsHaveUncertainties() const;
//! Returns a reference to i-th SimDataPair.
const SimDataPair& dataPair(size_t i_item = 0) const;
void initPlot(int every_nth, fit_observer_t&& observer);
bool isCompleted() const;
void interruptFitting();
bool isInterrupted() const;
bool isFirstIteration() const;
mumufit::MinimizerResult minimizerResult() const;
private:
using DataPairAccessor = std::vector<double> (SimDataPair::*)() const;
std::vector<double> composeArray(DataPairAccessor getter) const;
std::vector<SimDataPair> m_sim_data_pairs;
std::unique_ptr<IMetricWrapper> m_metric_module;
std::unique_ptr<FitStatus> m_fit_status;
#endif // SWIG
};
#endif // BORNAGAIN_SIM_FITTING_FITOBJECTIVE_H
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