core/constraints/ExternalPotential.hpp

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/*
 * Copyright (C) 2010-2022 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 "Constraint.hpp"
#include "Particle.hpp"
#include "field_coupling/PotentialField.hpp"
 
namespace Constraints {
/**
 * @brief Constraint interface for ExternalField::PotentialField.
 */
template <typename Coupling, typename Field>
class ExternalPotential : public Constraint {
  FieldCoupling::PotentialField<Coupling, Field> impl;
 
public:
  template <typename... Args>
  ExternalPotential(Args &&...args) : impl(std::forward<Args>(args)...) {}
 
  const Coupling &coupling() const { return impl.coupling(); }
  const Field &field() const { return impl.field(); }
 
  void add_energy(const Particle &p, const Utils::Vector3d &folded_pos,
                  double time, Observable_stat &obs_energy) const override {
    obs_energy.external_fields[0] += impl.energy(p, folded_pos, time);
  }
 
  ParticleForce force(const Particle &p, const Utils::Vector3d &folded_pos,
                      double time) override {
    return impl.force(p, folded_pos, time);
  }
 
  bool fits_in_box(Utils::Vector3d const &box) const override {
    return impl.field().fits_in_box(box);
  }
};
} // namespace Constraints