EKPoissonSolver.hpp

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/*
 * Copyright (C) 2022-2026 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 ESPRESSO_WALBERLA
 
#include "LatticeModel.hpp"
#include "LatticeWalberla.hpp"
#include "VTKHandle.hpp"
 
#include <script_interface/ScriptInterface.hpp>
#include <script_interface/auto_parameters/AutoParameters.hpp>
 
#include <walberla_bridge/electrokinetics/PoissonSolver.hpp>
 
#include <utils/math/int_pow.hpp>
 
#include <memory>
#include <unordered_map>
 
namespace ScriptInterface::walberla {
 
class EKPoissonVTKHandle : public VTKHandleBase<::walberla::PoissonSolver> {
  static std::unordered_map<std::string, int> const obs_map;
 
  std::unordered_map<std::string, int> const &get_obs_map() const override {
    return obs_map;
  }
};
 
class EKPoissonSolver
    : public LatticeModel<::walberla::PoissonSolver, EKPoissonVTKHandle> {
protected:
  double m_tau;
  double m_conv_potential;
 
  void set_potential_conversion(double agrid, double tau) {
    m_conv_potential = Utils::int_pow<2>(tau) / Utils::int_pow<2>(agrid);
  }
 
public:
  virtual std::shared_ptr<::walberla::PoissonSolver>
  get_instance() const noexcept = 0;
 
  [[nodiscard]] auto get_conversion_factor_potential() const noexcept {
    return m_conv_potential;
  }
 
  ::LatticeModel::units_map
  get_lattice_to_md_units_conversion() const override {
    return {
        {"potential", 1. / m_conv_potential},
    };
  }
};
 
} // namespace ScriptInterface::walberla
 
#endif // ESPRESSO_WALBERLA