DiffusionFunctionInterceptor.h

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#pragma once
#include <chrono>
#include <memory>
#include <vector>
 
#include "io/output/csv/CSVWriter.h"
#include "simulation/interceptors/SimulationInterceptor.h"
 
class DiffusionFunctionInterceptor : public SimulationInterceptor {
   public:
    explicit DiffusionFunctionInterceptor(double sample_every_x_percent) : sample_every_x_percent(sample_every_x_percent) {}
 
    void onSimulationStart(Simulation& simulation) override;
 
    void operator()(size_t iteration, Simulation& simulation) override;
 
    void onSimulationEnd(size_t iteration, Simulation& simulation) override;
 
    explicit operator std::string() const override;
 
    void logSummary(int depth) const override;
 
   private:
    double sample_every_x_percent;
    std::unique_ptr<CSVWriter> csv_writer;
    std::vector<std::array<double, 3>> old_particle_positions;
    size_t last_sampled_iteration = 0;
 
    void saveCurrentParticlePositions(const Simulation& simulation);
    double calculateCurrentDiffusion(const Simulation& simulation) const;
};