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 "Runtime.h"
#include <memory>
#include <stdexcept>
#include <string>
#include <utility>
#include <vector>
 
namespace eonc {



 
class Job {
private:
protected:
  // make const
  JobType jtype;
  Parameters params;
  std::unique_ptr<Runtime> owned_runtime_;
  Runtime *runtime_;
  std::shared_ptr<Potential> pot;
 
public:
  void adoptRuntime(std::unique_ptr<Runtime> rt) {
    if (!rt || runtime_ != rt.get()) {
      throw std::logic_error(
          "Job::adoptRuntime: Runtime is not the borrowed instance");
    }
    owned_runtime_ = std::move(rt);
  }

  Job(std::unique_ptr<Parameters> parameters, Runtime &rt)
      : jtype{parameters->main_options().job},
        params{*std::move(parameters)},
        owned_runtime_{},
        runtime_{&rt},
        pot{helpers::makePotential(params.potential_options().potential, params,
                                   rt)} {}

  Job(std::unique_ptr<Parameters> parameters, std::unique_ptr<Runtime> rt)
      : Job(std::move(parameters), *rt) {
    adoptRuntime(std::move(rt));
  }

  explicit Job(std::unique_ptr<Parameters> parameters)
      : Job(std::move(parameters), std::make_unique<Runtime>()) {}
  Job(std::shared_ptr<Potential> potPassed, const Parameters &parameters)
      : jtype{parameters.main_options().job},
        params{parameters},
        owned_runtime_{std::make_unique<Runtime>()},
        runtime_{owned_runtime_.get()},
        pot{potPassed} {}
  virtual ~Job() = default;
  virtual std::vector<std::string> run() = 0;
  [[nodiscard]] JobType getType() { return this->jtype; };
  [[nodiscard]] PotRegistry &pots() noexcept { return runtime_->pots(); }
  void releasePotential() { pot.reset(); }
};
 
namespace helpers {
std::unique_ptr<Job> makeJob(std::unique_ptr<Parameters> params);
std::unique_ptr<Job> makeJob(std::unique_ptr<Parameters> params,
                             Runtime &runtime);
std::unique_ptr<Job> makeJob(std::unique_ptr<Parameters> params,
                             Runtime &&runtime);
std::unique_ptr<Job> makeJob(std::unique_ptr<Parameters> params,
                             std::unique_ptr<Runtime> runtime);
} // namespace helpers
 
} // namespace eonc