walberla_bridge/include/walberla_bridge/LatticeModel.hpp

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/*
 * Copyright (C) 2019-2023 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/LatticeWalberla.hpp>
#include <walberla_bridge/VTKHandle.hpp>
 
#include <map>
#include <memory>
#include <string>
#include <unordered_map>
 
/** @brief Abstract representation of a lattice-based model. */
class LatticeModel {
public:
  using units_map = std::unordered_map<std::string, double>;
 
protected:
  /** VTK writers that are executed automatically */
  std::map<std::string, std::shared_ptr<VTKHandle>> m_vtk_auto;
  /** VTK writers that are executed manually */
  std::map<std::string, std::shared_ptr<VTKHandle>> m_vtk_manual;
 
  /** Register VTK writers. Use the multi-piece uniform grid format. */
  virtual void register_vtk_field_writers(walberla::vtk::VTKOutput &vtk_obj,
                                          units_map const &units_conversion,
                                          int flag_observables) = 0;
 
  virtual void
  register_vtk_field_filters(walberla::vtk::VTKOutput &vtk_obj) = 0;
 
  virtual void integrate_vtk_writers() = 0;
 
public:
  virtual ~LatticeModel() = default;
 
  /** @brief Get the underlying lattice. */
  virtual LatticeWalberla const &get_lattice() const noexcept = 0;
 
  /** @brief Create a VTK observable.
   *
   *  @param delta_N          Write frequency, if 0 write a single frame,
   *                          otherwise add a callback to write every
   *                          @p delta_N EK steps to a new file
   *  @param initial_count    Initial execution count
   *  @param flag_observables Which observables to measure (OR'ing of
   *                          @ref OutputVTK or @ref EKOutputVTK values)
   *  @param units_conversion Lattice-to-MD units conversion
   *  @param identifier       Name of the VTK dataset
   *  @param base_folder      Path to the VTK folder
   *  @param prefix           Prefix of the VTK files
   */
  std::shared_ptr<VTKHandle>
  create_vtk(int delta_N, int initial_count, int flag_observables,
             units_map const &units_conversion, std::string const &identifier,
             std::string const &base_folder, std::string const &prefix);
 
  /** @brief Write a VTK observable to disk.
   *
   *  @param vtk_uid          Name of the VTK object
   */
  void write_vtk(std::string const &vtk_uid);
 
  /** @brief Toggle a VTK observable on/off.
   *
   *  @param vtk_uid          Name of the VTK object
   *  @param status           @c true to switch on, @c false to switch off
   */
  void switch_vtk(std::string const &vtk_uid, bool status);
};