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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sim/Fitting/SimDataPair.h
//! @brief Defines class SimDataPair.
//!
//! @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)
//
// ************************************************************************************************
#ifdef SWIG
#error no need to expose this header to Swig
#endif // SWIG
#ifndef BORNAGAIN_SIM_FITTING_SIMDATAPAIR_H
#define BORNAGAIN_SIM_FITTING_SIMDATAPAIR_H
#include "Sim/Fitting/FitTypes.h"
#include "Sim/Fitting/SimulationWrapper.h" // SimulationWrapper
class Datafield;
//! Holds pair of simulation/experimental data to fit.
class SimDataPair {
public:
SimDataPair(const SimulationWrapper& sim, const Datafield& raw_data, const double weight = 1.0);
SimDataPair(SimDataPair&& other) noexcept;
~SimDataPair();
void execSimulation(const mumufit::Parameters& params);
bool containsUncertainties() const;
//! Returns the result of last computed simulation
Datafield simulationResult() const;
//! Returns the experimental data cut to the ROI area
Datafield experimentalData() const;
//! Returns the relative difference between simulated
//! and experimental data cut to the ROI area
Datafield relativeDifference() const;
//! Returns the absolute difference between simulated
//! and experimental data cut to the ROI area
Datafield absoluteDifference() const;
//! Returns the flattened simulated intensities cut to the ROI area
std::vector<double> simulation_array() const;
//! Returns the flattened experimental data cut to the ROI area
std::vector<double> experimental_array() const;
//! Returns the flattened experimental uncertainties
//! cut to the ROI area. If no uncertainties are available,
//! Returns a zero-filled array sized to the ROI area.
std::vector<double> uncertainties_array() const;
double weight() const { return m_weight; }
private:
void validate() const;
//! ISimulation builder from the user to construct simulation for given set of parameters.
SimulationWrapper m_simulation_builder;
// TODO: replace `std::unique_ptr<Datafield>` with `Datafield`
//! Raw experimental data as obtained from the user.
std::unique_ptr<Datafield> m_raw_data;
//! Weight in multidata fitting
double m_weight;
//! Current simulation results. Masked areas are nullified.
std::unique_ptr<Datafield> m_sim_data;
//! Experimental data cut to the ROI. Masked areas are nullified.
std::unique_ptr<Datafield> m_exp_data;
};
#endif // BORNAGAIN_SIM_FITTING_SIMDATAPAIR_H
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