PoissonSolver.hpp

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/*
 * Copyright (C) 2022-2023 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 <walberla_bridge/LatticeModel.hpp>
#include <walberla_bridge/LatticeWalberla.hpp>
 
#include <cstddef>
#include <memory>
#include <optional>
#include <utility>
 
namespace walberla {
 
class PoissonSolver : public LatticeModel {
private:
  std::shared_ptr<LatticeWalberla> m_lattice;
  double m_permittivity;
 
public:
  PoissonSolver(std::shared_ptr<LatticeWalberla> lattice, double permittivity)
      : m_lattice(std::move(lattice)), m_permittivity(permittivity) {}
  ~PoissonSolver() override = default;
 
  virtual void reset_charge_field() = 0;
 
  virtual void add_charge_to_field(std::size_t id, double valency) = 0;
 
  [[nodiscard]] virtual std::size_t get_potential_field_id() const noexcept = 0;
 
  virtual void set_permittivity(double permittivity) noexcept {
    m_permittivity = permittivity;
  }
 
  [[nodiscard]] virtual double get_permittivity() const noexcept {
    return m_permittivity;
  }
 
  [[nodiscard]] LatticeWalberla const &get_lattice() const noexcept override {
    return *m_lattice;
  }
 
  virtual void solve() = 0;
 
  [[nodiscard]] virtual std::optional<double>
  get_node_potential(Utils::Vector3i const &node,
                     bool consider_ghosts = false) = 0;
 
  [[nodiscard]] virtual std::vector<double>
  get_slice_potential(Utils::Vector3i const &lower_corner,
                      Utils::Vector3i const &upper_corner) const = 0;
 
  void register_vtk_field_writers(walberla::vtk::VTKOutput &,
                                  LatticeModel::units_map const &,
                                  int) override {}
 
  virtual void setup_fft(bool use_gpu_aware) = 0;
 
  [[nodiscard]] virtual bool is_gpu() const noexcept = 0;
  [[nodiscard]] virtual bool is_double_precision() const noexcept = 0;
 
protected:
  void integrate_vtk_writers() override {}
  void register_vtk_field_filters(walberla::vtk::VTKOutput &) override {}
};
 
} // namespace walberla