EquilibriumProps.hpp

// Reaktoro is a unified framework for modeling chemically reactive phases.
//
// 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/Matrix.hpp>
#include <Reaktoro/Common/Types.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class ChemicalProps;
class ChemicalState;
class EquilibriumSpecs;
 
class EquilibriumProps
{
public:
    explicit EquilibriumProps(const EquilibriumSpecs& specs);
 
    EquilibriumProps(const EquilibriumProps& other);
 
    ~EquilibriumProps();
 
    auto operator=(EquilibriumProps other) -> EquilibriumProps&;
 
    auto update(VectorXrConstRef n, VectorXrConstRef p, VectorXrConstRef w, bool useIdealModel = false) -> void;
 
    auto update(VectorXrConstRef n, VectorXrConstRef p, VectorXrConstRef w, bool useIdealModel, long inpw) -> void;
 
    auto assembleFullJacobianBegin() -> void;
 
    auto assembleFullJacobianEnd() -> void;
 
    auto chemicalState() const -> const ChemicalState&;
 
    auto chemicalProps() const -> const ChemicalProps&;
 
    auto dudn() const -> MatrixXdConstRef;
 
    auto dudp() const -> MatrixXdConstRef;
 
    auto dudw() const -> MatrixXdConstRef;
 
private:
    struct Impl;
 
    Ptr<Impl> pimpl;
};
 
} // namespace Reaktoro