DebyeHueckel.hpp

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/*
 * Copyright (C) 2022 The ESPResSo project
 *
 * This file is part of ESPResSo.
 *
 * ESPResSo is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 *
 * ESPResSo is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program.  If not, see <http://www.gnu.org/licenses/>.
 */
 
#pragma once
 
#include "config/config.hpp"
 
#ifdef ELECTROSTATICS
 
#include "Actor.hpp"
 
#include "core/electrostatics/debye_hueckel.hpp"
 
#include "script_interface/get_value.hpp"
 
#include <memory>
#include <string>
 
namespace ScriptInterface {
namespace Coulomb {
 
class DebyeHueckel : public Actor<DebyeHueckel, ::DebyeHueckel> {
 
public:
  DebyeHueckel() {
    add_parameters({
        {"kappa", AutoParameter::read_only,
         [this]() { return actor()->kappa; }},
        {"r_cut", AutoParameter::read_only,
         [this]() { return actor()->r_cut; }},
    });
  }
 
  void do_construct(VariantMap const &params) override {
    context()->parallel_try_catch([&]() {
      m_actor = std::make_shared<CoreActorClass>(
          get_value<double>(params, "prefactor"),
          get_value<double>(params, "kappa"),
          get_value<double>(params, "r_cut"));
    });
    set_charge_neutrality_tolerance(params);
  }
};
 
} // namespace Coulomb
} // namespace ScriptInterface
 
#endif // ELECTROSTATICS