Jungfraujoch/image_analysis/scale_merge/ScaleOnTheFly.h

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

#pragma once

#include "HKLKey.h"
#include "Merge.h"
#include "../../common/DiffractionExperiment.h"
#include "ScalingResult.h"

#include <map>


struct ScaleOnTheFlyResult {
    double B = 0;
    double G = 1.0;
    double mos = 0.1;
    double wedge = 0.1;
    double cc = NAN;
    size_t cc_n = 0;
    float time_s = 0.0;
    bool succesful = false;
};

class ScaleOnTheFly {
    constexpr static size_t MIN_REFLECTIONS = 20;

    const std::optional<gemmi::SpaceGroup> sg;
    const PartialityModel model;
    const ScalingSettings s;
    const std::optional<double> rot_wedge_deg;
    const bool refine_rot_wedge;
    const HKLKeyGenerator hkl_key_generator;
    std::map<HKLKey, double> reference_data;

    bool Accept(const Reflection &r);
    [[nodiscard]] std::pair<double, size_t> CalculateGlobalCC(const std::vector<Reflection> &reflections) const;
public:
    ScaleOnTheFly(const DiffractionExperiment &x, const std::vector<MergedReflection> &ref);
    ScaleOnTheFlyResult Scale(std::vector<Reflection> &r, std::optional<float> mosaicity_deg);

    ScalingResult Scale(std::vector<std::vector<Reflection> > &reflections,
                        const std::vector<float> &mosaicity,
                        size_t nthreads = 0);
};