EKSpeciesNode.cpp

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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/>.
 */
 
#include <config/config.hpp>
 
#ifdef ESPRESSO_WALBERLA
 
#include "EKSpeciesNode.hpp"
#include "errorhandling.hpp"
 
#include "LatticeIndices.hpp"
 
#include <walberla_bridge/electrokinetics/EKinWalberlaBase.hpp>
 
#include <utils/Vector.hpp>
#include <utils/mpi/reduce_optional.hpp>
 
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/serialization/vector.hpp>
 
#include <cassert>
#include <memory>
#include <optional>
#include <stdexcept>
#include <string>
 
namespace ScriptInterface::walberla {
 
static bool is_boundary_all_reduce(boost::mpi::communicator const &comm,
                                   std::optional<bool> const &is_boundary) {
  return boost::mpi::all_reduce(comm, is_boundary ? *is_boundary : false,
                                std::logical_or<>());
}
 
Variant EKSpeciesNode::do_call_method(std::string const &name,
                                      VariantMap const &params) {
  if (name == "override_index") {
    // this hidden feature is used to iterate an EK slice without
    // rebuilding a EKSpeciesNode for each node in the slice
    auto const index = get_value<Utils::Vector3i>(params, "index");
    if (not is_index_valid(index, m_grid_size)) {
      return 1;
    }
    m_index = index;
    return 0;
  }
  if (name == "set_density") {
    auto const dens = get_value<double>(params, "value");
    m_ek_species->set_node_density(m_index, dens * m_conv_dens);
    m_ek_species->ghost_communication();
    return {};
  }
  if (name == "get_density") {
    auto const result = m_ek_species->get_node_density(m_index);
    return Utils::Mpi::reduce_optional(context()->get_comm(), result) /
           m_conv_dens;
  }
  if (name == "get_flux_vector") {
    auto const result = m_ek_species->get_node_flux_vector(m_index);
    return Utils::Mpi::reduce_optional(context()->get_comm(), result) /
           m_conv_flux;
  }
  if (name == "get_is_boundary") {
    auto const result = m_ek_species->get_node_is_boundary(m_index);
    return Utils::Mpi::reduce_optional(context()->get_comm(), result);
  }
  if (name == "get_node_density_at_boundary") {
    auto const boundary_opt =
        m_ek_species->get_node_is_density_boundary(m_index);
    if (is_boundary_all_reduce(context()->get_comm(), boundary_opt)) {
      auto const result = m_ek_species->get_node_density_at_boundary(m_index);
      return Utils::Mpi::reduce_optional(context()->get_comm(), result) /
             m_conv_dens;
    }
    return Variant{None{}};
  }
  if (name == "set_node_density_at_boundary") {
    if (is_none(params.at("value"))) {
      m_ek_species->remove_node_from_density_boundary(m_index);
    } else {
      auto const dens = get_value<double>(params, "value") * m_conv_dens;
      m_ek_species->set_node_density_boundary(m_index, dens);
    }
    return {};
  }
  if (name == "get_node_flux_at_boundary") {
    auto const boundary_opt = m_ek_species->get_node_is_flux_boundary(m_index);
    if (is_boundary_all_reduce(context()->get_comm(), boundary_opt)) {
      auto const result = m_ek_species->get_node_flux_at_boundary(m_index);
      return Utils::Mpi::reduce_optional(context()->get_comm(), result) /
             m_conv_flux;
    }
    return Variant{None{}};
  }
  if (name == "set_node_flux_at_boundary") {
    if (is_none(params.at("value"))) {
      m_ek_species->remove_node_from_flux_boundary(m_index);
    } else {
      context()->parallel_try_catch([&]() {
        if (get_lattice().get_ghost_layers() < 2) {
          if (context()->get_comm().size() > 1) {
            throw std::runtime_error("The number of ghostlayers should be > 1 "
                                     "when using flux boundaries and mpi.");
          }
          runtimeWarningMsg() << "The number of ghostlayers should be > 1 when "
                                 "using flux boundaries and mpi.";
        }
      });
      auto const flux =
          get_value<Utils::Vector3d>(params, "value") * m_conv_flux;
      m_ek_species->set_node_flux_boundary(m_index, flux);
    }
    return {};
  }
 
  return {};
}
 
} // namespace ScriptInterface::walberla
 
#endif // ESPRESSO_WALBERLA