PhreeqcIOData/KineticReactant.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
#include <iosfwd>
#include <optional>
#include <string>
#include <vector>
 
#include "MeshLib/PropertyVector.h"
#include "Output.h"
 
namespace ChemistryLib
{
namespace PhreeqcIOData
{
struct KineticReactant
{
    KineticReactant(std::string name_,
                    std::string chemical_formula_,
                    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_,
                    std::vector<double>&& parameters_,
                    bool const fix_amount_)
        : name(std::move(name_)),
          chemical_formula(std::move(chemical_formula_)),
          molality(molality_),
          molality_prev(molality_prev_),
          volume_fraction(volume_fraction_),
          volume_fraction_prev(volume_fraction_prev_),
          mesh_prop_molality(mesh_prop_molality_),
          parameters(std::move(parameters_)),
          fix_amount(fix_amount_)
    {
    }
 
    void print(std::ostream& os, std::size_t const chemical_system_id) const;
 
    std::string const name;
    std::string const chemical_formula;
    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;
    std::vector<double> const parameters;
    bool const fix_amount;
    static const ItemType item_type = ItemType::KineticReactant;
};
}  // namespace PhreeqcIOData
}  // namespace ChemistryLib