Create.hpp

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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 "eon/SurrogatePotential.h"
 
#ifdef WITH_CATLEARN
#include "eon/potentials/CatLearnPot/CatLearnPot.h"
#endif
 
namespace helpers::create {
template <typename... Args>
std::shared_ptr<SurrogatePotential>
makeSurrogatePotential(PotType a_ptype, const Parameters &a_params,
                       Args &&...a_args) {
  switch (a_ptype) {
    // TODO: Every potential must know their own type
#ifdef WITH_CATLEARN
  case PotType::CatLearn: {
    return (std::make_shared<CatLearnPot>(a_params));
    break;
  }
#endif
  default:
    throw std::runtime_error(
        "No known surrogate potential could be constructed");
    break;
  }
}
} // namespace helpers::create