Job.h

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/*
** This file is part of eOn.
**
** SPDX-License-Identifier: BSD-3-Clause
**
** Copyright (c) 2010--present, eOn Development Team
** All rights reserved.
**
** Repo:
** https://github.com/TheochemUI/eOn
*/
#pragma once
#include "Parameters.h"
#include "Potential.h"
#include <string>
#include <vector>
 
namespace eonc {



 
class Job {
private:
protected:
  // make const
  JobType jtype;
  Parameters params;
  std::shared_ptr<Potential> pot;
 
public:
  Job(std::unique_ptr<Parameters> parameters)
      : jtype{parameters->main_options.job},
        params{*std::move(parameters)},
        pot{helpers::makePotential(params.potential_options.potential,
                                   params)} {}
  Job(std::shared_ptr<Potential> potPassed, const Parameters &parameters)
      : jtype{parameters.main_options.job},
        params{parameters},
        pot{potPassed} {}
  virtual ~Job() = default;
  virtual std::vector<std::string> run() = 0;
  [[nodiscard]] JobType getType() { return this->jtype; };
};
 
namespace helpers {
std::unique_ptr<Job> makeJob(std::unique_ptr<Parameters> params);
} // namespace helpers
 
} // namespace eonc
 
using eonc::Job;