Phase.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/Core/ActivityProps.hpp>
#include <Reaktoro/Core/ActivityModel.hpp>
#include <Reaktoro/Core/SpeciesList.hpp>
#include <Reaktoro/Core/StateOfMatter.hpp>
 
namespace Reaktoro {
 
class Phase
{
public:
    Phase();
 
    auto clone() const -> Phase;
 
    auto withName(String name) -> Phase;
 
    auto withSpecies(SpeciesList species) -> Phase;
 
    auto withStateOfMatter(StateOfMatter state) -> Phase;
 
    auto withActivityModel(const ActivityModel& model) -> Phase;
 
    auto withIdealActivityModel(const ActivityModel& model) -> Phase;
 
    auto name() const -> String;
 
    auto stateOfMatter() const -> StateOfMatter;
 
    auto aggregateState() const -> AggregateState;
 
    auto elements() const -> const ElementList&;
 
    auto element(Index idx) const -> const Element&;
 
    auto species() const -> const SpeciesList&;
 
    auto species(Index idx) const -> const Species&;
 
    auto speciesMolarMasses() const -> ArrayXdConstRef;
 
    auto activityModel() const -> const ActivityModel&;
 
    auto idealActivityModel() const -> const ActivityModel&;
 
private:
    struct Impl;
 
    SharedPtr<Impl> pimpl;
};
 
auto operator<(const Phase& lhs, const Phase& rhs) -> bool;
 
auto operator==(const Phase& lhs, const Phase& rhs) -> bool;
 
} // namespace Reaktoro