Simulator.h

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//
// Created by daniel on 24.04.24.
//
 
#pragma once
 
#include "fileHandling/FileHandler.h"
#include "fileHandling/outputWriter/VTKWriter/VTKWriter.h"
#include "forceCalculation/Force.h"
#include "models/Model.h"
#include "utils/enumsStructs.h"
#include <memory>
#include <moleculeSimulator/thermostats/defaultThermostat/DefaultThermostat.h>
#include "thermostats/flowThermostat/FlowThermostat.h"
#include "forceCalculation/gravity/Gravity.h"
#include "forceCalculation/lennardJones/LennardJonesForce.h"
#include "models/directSum/DirectSum.h"
#include "../models/linkedCells/LinkedCells.h"
#include "statistics/Statistics.h"
 
class Simulator {
private:
 
 //profiles
 bool computeProfiles;
 std::unique_ptr<Statistics> statistics;
 std::array<double, 3> domainSize{};
 
 //thermostat
 std::unique_ptr<Thermostat> thermostat;
 int nThermostat;
 bool useThermostat;
 bool initialiseSystemWithBrownianMotion;
 bool applyScalingGradually;
 
 //simulation dependent
 std::unique_ptr<Force> force;
 std::unique_ptr<Model> model;
 double deltaT;
 double endT;
 
 //output
 int outputFrequency;
 std::string outputFileBaseName;
 
 //performance measurements
 unsigned long long totalMoleculeUpdates;
 
public:
 Simulator() = delete;
 
 
 Simulator(SimulationSettings &simulationSettings, FileHandler::outputFormat outputFormat);
 
 Simulator(DirectSumSimulationParameters &parameters, std::string &inputFilePath,
           FileHandler::outputFormat outputFormat, int outputFrequency,
           std::string &outputFileBaseName);
 
 void run(bool benchmark);
 
 void loadState(std::string& pathToMolecules);
 
 void saveState();
 
 ParticleContainer &getParticles();
 
 unsigned long long getTotalMoleculeUpdates() const;
 
};