AqueousSpecies.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright (C) 2014-2018 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library 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
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// C++ includes
#include <map>
#include <string>
 
// Reaktoro includes
#include <Reaktoro/Core/Species.hpp>
#include <Reaktoro/Thermodynamics/Species/ThermoData.hpp>
 
namespace Reaktoro {
 
class AqueousSpecies : public Species
{
public:
    AqueousSpecies();
 
    AqueousSpecies(const Species& species);
 
    auto setCharge(double value) -> void;
 
    auto setDissociation(const std::map<std::string, double>& dissociation) -> void;
 
    auto setThermoData(const AqueousSpeciesThermoData& thermo) -> void;
 
    auto charge() const -> double;
 
    auto dissociation() const -> const std::map<std::string, double>&;
 
    auto thermoData() const -> const AqueousSpeciesThermoData&;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro