EquilibriumReactant.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
#include <iosfwd>
#include <string>
#include <vector>
 
#include "MeshLib/PropertyVector.h"
#include "Output.h"
 
namespace BaseLib
{
class ConfigTree;
}
 
namespace ChemistryLib
{
namespace PhreeqcIOData
{
struct EquilibriumReactant
{
    EquilibriumReactant(std::string name_,
                        MeshLib::PropertyVector<double>* molality_,
                        MeshLib::PropertyVector<double>* molality_prev_,
                        MeshLib::PropertyVector<double>* volume_fraction_,
                        MeshLib::PropertyVector<double>* volume_fraction_prev_,
                        MeshLib::PropertyVector<double>* mesh_prop_molality_,
                        double saturation_index_,
                        std::string reaction_irreversibility_)
        : name(std::move(name_)),
          molality(molality_),
          molality_prev(molality_prev_),
          volume_fraction(volume_fraction_),
          volume_fraction_prev(volume_fraction_prev_),
          mesh_prop_molality(mesh_prop_molality_),
          saturation_index(saturation_index_),
          reaction_irreversibility(std::move(reaction_irreversibility_))
    {
    }
 
    void print(std::ostream& os, std::size_t const chemical_system_id) const;
 
    std::string const name;
    MeshLib::PropertyVector<double>* molality;
    MeshLib::PropertyVector<double>* molality_prev;
    MeshLib::PropertyVector<double>* volume_fraction;
    MeshLib::PropertyVector<double>* volume_fraction_prev;
    MeshLib::PropertyVector<double>* mesh_prop_molality;
    double const saturation_index;
    std::string const reaction_irreversibility;
    static const ItemType item_type = ItemType::EquilibriumReactant;
};
}  // namespace PhreeqcIOData
}  // namespace ChemistryLib