IonExchangeProps.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright © 2014-2024 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
 
// Reaktoro includes
#include <Reaktoro/Common/Types.hpp>
#include <Reaktoro/Common/Matrix.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class ChemicalProps;
class ChemicalState;
class ChemicalSystem;
class Phase;
 
class IonExchangeProps
{
public:
    explicit IonExchangeProps(const ChemicalSystem& system);
 
    explicit IonExchangeProps(const ChemicalState& state);
 
    explicit IonExchangeProps(const ChemicalProps& props);
 
    IonExchangeProps(const IonExchangeProps& other);
 
    virtual ~IonExchangeProps();
 
    auto operator=(IonExchangeProps other) -> IonExchangeProps&;
 
    auto update(const ChemicalState& state) -> void;
 
    auto update(const ChemicalProps& props) -> void;
 
    auto elementAmount(const StringOrIndex& symbol) const -> real;
 
    auto elementAmounts() const -> ArrayXr;
 
    auto speciesAmounts() const -> ArrayXr;
 
    auto speciesAmount(const StringOrIndex& name) const -> real;
 
    auto speciesEquivalents() const -> ArrayXr;
 
    auto speciesEquivalent(const StringOrIndex& name) const -> real;
 
    auto speciesEquivalentFractions() const -> ArrayXr;
 
    auto speciesEquivalentFraction(const StringOrIndex& name) const -> real;
 
    auto speciesActivityCoefficientsLg() const -> ArrayXr;
 
    auto speciesActivityCoefficientLg(const StringOrIndex& name) const -> real;
 
    auto phase() const -> const Phase&;
 
    auto output(std::ostream& out) const -> void;
 
    auto output(const String& filename) const -> void;
 
private:
    struct Impl;
 
    Ptr<Impl> pimpl;
};
 
auto operator<<(std::ostream& out, const IonExchangeProps& state) -> std::ostream&;
 
} // namespace Reaktoro