PhreeqcKernelData/AqueousSolution.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
// clang-format off
#include <phreeqcpp/common/phrqtype.h>
#include <phreeqcpp/Solution.h>
// clang-format on
 
#include <memory>
 
namespace ChemistryLib
{
namespace PhreeqcKernelData
{
class AqueousSolution final : private cxxSolution
{
public:
    AqueousSolution(double const temperature, double const pressure,
                    double const pe_value,
                    cxxISolution const& initial_aqueous_solution);
 
    std::unique_ptr<cxxISolution const> getInitialAqueousSolution() const
    {
        return std::make_unique<cxxISolution const>(*Get_initial_data());
    }
 
    void setChemicalSystemID(std::size_t const chemical_system_id)
    {
        Set_n_user_both(chemical_system_id);
    }
 
    cxxSolution const* castToBaseClass() const
    {
        return static_cast<cxxSolution const*>(this);
    }
 
    std::unique_ptr<cxxSolution const> castToBaseClassNoninitialized()
    {
        Destroy_initial_data();
        return std::make_unique<cxxSolution const>(*castToBaseClass());
    }
};
}  // namespace PhreeqcKernelData
}  // namespace ChemistryLib