EKSpeciesSlice.hpp

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/*
 * Copyright (C) 2021-2023 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 "config/config.hpp"
 
#ifdef WALBERLA
 
#include "EKSpecies.hpp"
 
#include "LatticeSlice.hpp"
 
#include <script_interface/ScriptInterface.hpp>
#include <script_interface/auto_parameters/AutoParameters.hpp>
 
#include <walberla_bridge/LatticeWalberla.hpp>
#include <walberla_bridge/electrokinetics/EKinWalberlaBase.hpp>
 
#include <utils/Vector.hpp>
#include <utils/math/int_pow.hpp>
 
#include <cassert>
#include <memory>
#include <optional>
#include <string>
#include <type_traits>
#include <unordered_map>
#include <vector>
 
namespace ScriptInterface::walberla {
 
using DensityBoundaryType = std::optional<double>;
using FluxBoundaryType = std::optional<Utils::Vector3d>;
 
struct EKFieldSerializer {
 
  template <typename T> static Variant serialize(std::vector<T> const &values) {
    if constexpr (std::is_same_v<T, FluxBoundaryType> or
                  std::is_same_v<T, DensityBoundaryType>) {
      std::vector<Variant> vec;
      vec.reserve(values.size());
      for (auto const &opt : values) {
        if (opt) {
          vec.emplace_back(*opt);
        } else {
          vec.emplace_back(None{});
        }
      }
      return {vec};
    } else if constexpr (std::is_same_v<T, int> or std::is_same_v<T, double>) {
      return {values};
    } else {
      return make_vector_of_variants(values);
    }
  }
 
  template <typename T>
  static std::vector<T> deserialize(Variant const &variant) {
    std::vector<T> values;
    if constexpr (std::is_same_v<T, FluxBoundaryType>) {
      auto const vector_variants = get_value<std::vector<Variant>>(variant);
      for (auto const &value : vector_variants) {
        if (is_none(value)) {
          values.emplace_back(std::nullopt);
        } else {
          values.emplace_back(get_value<Utils::Vector3d>(value));
        }
      }
    } else if constexpr (std::is_same_v<T, DensityBoundaryType>) {
      auto const vector_variants = get_value<std::vector<Variant>>(variant);
      for (auto const &value : vector_variants) {
        if (is_none(value)) {
          values.emplace_back(std::nullopt);
        } else {
          values.emplace_back(get_value<double>(value));
        }
      }
    } else if constexpr (std::is_same_v<T, double>) {
      if (is_type<std::vector<int>>(variant)) {
        auto const values_int = get_value<std::vector<int>>(variant);
        values.reserve(values_int.size());
        for (auto const val : values_int) {
          values.emplace_back(static_cast<double>(val));
        }
      } else {
        values = get_value<std::vector<T>>(variant);
      }
    } else {
      values = get_value<std::vector<T>>(variant);
    }
    return values;
  }
};
 
class EKSpeciesSlice : public LatticeSlice<EKFieldSerializer> {
  using LatticeModel = ::EKinWalberlaBase;
  std::shared_ptr<LatticeModel> m_ek_species;
  std::shared_ptr<EKSpecies> m_ek_sip;
  double m_conv_dens;
  double m_conv_flux;
  std::unordered_map<std::string, std::vector<int>> m_shape_val;
 
public:
  void do_construct(VariantMap const &params) override {
    m_ek_sip = get_value<std::shared_ptr<EKSpecies>>(params, "parent_sip");
    m_ek_species = m_ek_sip->get_ekinstance();
    assert(m_ek_species);
    m_conv_dens = m_ek_sip->get_conversion_factor_density();
    m_conv_flux = m_ek_sip->get_conversion_factor_flux();
    m_shape = get_value<std::vector<int>>(params, "shape");
    m_slice_lower_corner =
        get_value<Utils::Vector3i>(params, "slice_lower_corner");
    m_slice_upper_corner =
        get_value<Utils::Vector3i>(params, "slice_upper_corner");
    m_shape_val["density"] = {1};
    m_shape_val["flux_at_boundary"] = {1};
    m_shape_val["density_at_boundary"] = {1};
    m_shape_val["is_boundary"] = {1};
  }
 
  Variant do_call_method(std::string const &name,
                         VariantMap const &params) override;
 
  ::LatticeWalberla const &get_lattice() const override {
    return m_ek_species->get_lattice();
  }
};
 
} // namespace ScriptInterface::walberla
 
#endif // WALBERLA