ChemistryLib/PhreeqcIOData/Output.cpp

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#include "Output.h"
 
#include <ostream>
 
#ifdef USE_PETSC
#include <mpi.h>
 
#include "BaseLib/MPI.h"
#endif
 
namespace ChemistryLib
{
namespace PhreeqcIOData
{
std::string specifyFileName(std::string const& project_file_name,
                            std::string const& file_extension)
{
#ifdef USE_PETSC
    int mpi_rank;
 
    MPI_Comm_rank(BaseLib::MPI::OGS_COMM_WORLD, &mpi_rank);
    return project_file_name + "_phreeqc_pid_" + std::to_string(mpi_rank) +
           file_extension;
#endif
 
    return project_file_name + "_phreeqc" + file_extension;
}
 
BasicOutputSetups::BasicOutputSetups(std::string const& project_file_name,
                                     bool const use_high_precision_)
    : output_file(specifyFileName(project_file_name, ".out")),
      use_high_precision(use_high_precision_)
{
}
 
std::ostream& operator<<(std::ostream& os,
                         BasicOutputSetups const& basic_output_setups)
{
    os << "SELECTED_OUTPUT"
       << "\n";
    os << "-file " << basic_output_setups.output_file << "\n";
    os << "-high_precision " << std::boolalpha
       << basic_output_setups.use_high_precision << "\n";
    os << "-simulation " << std::boolalpha
       << BasicOutputSetups::display_simulation_id << "\n";
    os << "-state " << std::boolalpha << BasicOutputSetups::display_state
       << "\n";
    os << "-distance " << std::boolalpha << BasicOutputSetups::display_distance
       << "\n";
    os << "-time " << std::boolalpha << BasicOutputSetups::display_current_time
       << "\n";
    os << "-step " << std::boolalpha << BasicOutputSetups::display_time_step
       << "\n";
 
    return os;
}
 
std::ostream& operator<<(std::ostream& os, Output const& output)
{
    os << output.basic_output_setups;
 
    auto const component_items =
        output.getOutputItemsByItemType(ItemType::Component);
    os << "-totals";
    for (auto const& component_item : component_items)
    {
        os << " " << component_item.name;
    }
    os << "\n";
 
    auto const equilibrium_phase_items =
        output.getOutputItemsByItemType(ItemType::EquilibriumReactant);
    if (!equilibrium_phase_items.empty())
    {
        os << "-equilibrium_phases";
        for (auto const& equilibrium_phase_item : equilibrium_phase_items)
        {
            os << " " << equilibrium_phase_item.name;
        }
        os << "\n";
    }
 
    auto const kinetic_reactant_items =
        output.getOutputItemsByItemType(ItemType::KineticReactant);
    if (!kinetic_reactant_items.empty())
    {
        os << "-kinetic_reactants";
        for (auto const& kinetic_reactant_item : kinetic_reactant_items)
        {
            os << " " << kinetic_reactant_item.name;
        }
        os << "\n";
    }
 
    return os;
}
}  // namespace PhreeqcIOData
}  // namespace ChemistryLib