ek/Solver.hpp

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/*
 * Copyright (C) 2023-2026 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 "system/Leaf.hpp"
 
#include "utils.hpp"
 
#include <cassert>
#include <memory>
 
namespace EK {
 
struct Solver : public System::Leaf<Solver> {
  struct Implementation;
 
  Solver();
 
  /** @brief Return true if an EK solver is active. */
  [[nodiscard]] bool is_solver_set() const;
 
  /** @brief Return true if an EK solver can be propagated. */
  bool is_ready_for_propagation() const;
 
  /** @brief Remove the EK solver. */
  void reset();
 
  /**
   * @brief Set the EK solver.
   * For developers: a specialization must exist for every new EK type.
   */
  template <typename LB, class... Args> void set(Args... args);
 
  /**
   * @brief Connector to the implementation internal state.
   * For developers: use this mechanism to access the underlying variant.
   */
  template <class Connector> void connect(Connector &&connector) const {
    assert(impl != nullptr);
    connector(*this->impl);
  }
 
  /**
   * @brief Propagate the EK species.
   */
  void propagate();
 
  /**
   * @brief Perform a full initialization of the lattice-Boltzmann system.
   * All derived parameters and the fluid are reset to their default values.
   */
  void init() const {}
 
  bool is_gpu() const;
 
  /**
   * @brief Get the EK time step.
   */
  double get_tau() const;
 
  /**
   * @brief Perform EK parameter checks.
   */
  void sanity_checks() const;
 
  /**
   * @brief Check if a MD time step is compatible with the EK tau.
   */
  void veto_time_step(double time_step) const;
 
  /**
   * @brief Check if a thermostat is compatible with the EK temperature.
   */
  void veto_kT(double kT) const;
 
  void on_boxl_change();
  void on_node_grid_change();
  void on_cell_structure_change();
  void on_timestep_change();
  void on_temperature_change();
  void veto_boxl_change() const;
 
private:
  /** @brief Pointer-to-implementation. */
  std::unique_ptr<Implementation> impl;
};
 
} // namespace EK