// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only

#ifndef JFJOCH_BRAGGPREDICTION_H
#define JFJOCH_BRAGGPREDICTION_H

#include <vector>

#include "../../common/CrystalLattice.h"
#include "../../common/DiffractionExperiment.h"
#include "../../common/Reflection.h"

struct BraggPredictionSettings {
    float high_res_A = 1.5;
    float ewald_dist_cutoff = 0.0005;
    int max_hkl = 100;
    char centering = 'P';
};

class BraggPrediction {
protected:
    const int max_reflections;
    std::vector<Reflection> reflections;
public:
    explicit BraggPrediction(int max_reflections = 10000);

    virtual ~BraggPrediction() = default;
    virtual int Calc(const DiffractionExperiment &experiment, const CrystalLattice &lattice,
        const BraggPredictionSettings &settings);
    const std::vector<Reflection> &GetReflections() const;
};

std::vector<Reflection> CalcBraggPredictions(const DiffractionExperiment &experiment,
                                             const CrystalLattice &lattice,
                                             float high_res_A = 1.5,
                                             float ewald_dist_cutoff = 0.0005,
                                             int max_hkl = 100,
                                             int max_reflections = 10000);

#endif //JFJOCH_BRAGGPREDICTION_H