FormationReaction.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/StandardThermoModel.hpp>
#include <Reaktoro/Core/ReactionStandardThermoModel.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class Species;
 
class FormationReaction
{
public:
    FormationReaction();
 
    auto clone() const -> FormationReaction;
 
    auto withReactants(Pairs<Species, double> const& reactants) const -> FormationReaction;
 
    auto withEquilibriumConstant(real const& lgK0) const -> FormationReaction;
 
    auto withProductStandardVolume(real const& V0p) const -> FormationReaction;
 
    auto withProductStandardVolumeModel(Model<real(real,real)> fn) const -> FormationReaction;
 
    auto withReactionStandardThermoModel(const ReactionStandardThermoModel& fn) const -> FormationReaction;
 
    auto initialized() const -> bool;
 
    auto reactants() const -> const Pairs<Species, double>&;
 
    auto stoichiometry(String reactant) const -> double;
 
    auto productStandardVolumeModel() const -> const Model<real(real,real)>&;
 
    auto reactionThermoModel() const -> const ReactionStandardThermoModel&;
 
    auto createStandardThermoModel() const -> StandardThermoModel;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro