ThermoProps.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/Core/ChemicalSystem.hpp>
#include <Reaktoro/Core/ThermoPropsPhase.hpp>
 
namespace Reaktoro {
 
class ThermoProps
{
public:
    explicit ThermoProps(const ChemicalSystem& system);
 
    ThermoProps(const ThermoProps& other);
 
    ~ThermoProps();
 
    auto operator=(ThermoProps other) -> ThermoProps&;
 
    auto update(const real& T, const real& P) -> void;
 
    auto update(const real& T, const real& P, Wrt<real&> wrtvar) -> void;
 
    auto system() const -> const ChemicalSystem&;
 
    auto phaseProps(Index idx) const -> ThermoPropsPhaseConstRef;
 
    auto temperature() const -> const real&;
 
    auto pressure() const -> const real&;
 
    auto speciesStandardVolumes() const -> ArrayXrConstRef;
 
    auto speciesStandardVolumesT() const -> ArrayXrConstRef;
 
    auto speciesStandardVolumesP() const -> ArrayXrConstRef;
 
    auto speciesStandardGibbsEnergies() const -> ArrayXrConstRef;
 
    auto speciesStandardEnthalpies() const -> ArrayXrConstRef;
 
    auto speciesStandardEntropies() const -> ArrayXr;
 
    auto speciesStandardInternalEnergies() const -> ArrayXr;
 
    auto speciesStandardHelmholtzEnergies() const -> ArrayXr;
 
    auto speciesStandardHeatCapacitiesConstP() const -> ArrayXrConstRef;
 
    auto speciesStandardHeatCapacitiesConstV() const -> ArrayXrConstRef;
 
private:
    struct Impl;
 
    Ptr<Impl> pimpl;
};
 
} // namespace Reaktoro