Phase.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright (C) 2014-2018 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
 
// C++ includes
#include <memory>
#include <string>
 
// Reaktoro includes
#include <Reaktoro/Core/Element.hpp>
#include <Reaktoro/Core/Species.hpp>
#include <Reaktoro/Thermodynamics/Models/PhaseChemicalModel.hpp>
#include <Reaktoro/Thermodynamics/Models/PhaseThermoModel.hpp>
 
namespace Reaktoro {
 
enum class PhaseType
{
    Solid, Liquid, Gas, Plasma
};
 
class Phase
{
public:
    Phase();
 
    Phase(std::string name, PhaseType type);
 
    auto setName(std::string name) -> void;
 
    auto setType(PhaseType type) -> void;
 
    auto setSpecies(const std::vector<Species>& species) -> void;
 
    auto setThermoModel(const PhaseThermoModel& model) -> void;
 
    auto setChemicalModel(const PhaseChemicalModel& model) -> void;
 
    auto numElements() const -> unsigned;
 
    auto numSpecies() const -> unsigned;
 
    auto name() const -> std::string;
 
    auto type() const -> PhaseType;
 
    auto elements() const -> const std::vector<Element>&;
 
    auto elements() -> std::vector<Element>&;
 
    auto species() const -> const std::vector<Species>&;
 
    auto species() -> std::vector<Species>&;
 
    auto species(Index index) const -> const Species&;
 
    auto isFluid() const -> bool;
 
    auto isSolid() const -> bool;
 
    auto thermoModel() const -> const PhaseThermoModel&;
 
    auto chemicalModel() const -> const PhaseChemicalModel&;
 
    auto indexSpecies(std::string name) const -> Index;
 
    auto indexSpeciesWithError(std::string name) const -> Index;
 
    auto indexSpeciesAny(const std::vector<std::string>& names) const -> Index;
 
    auto indexSpeciesAnyWithError(const std::vector<std::string>& names) const -> Index;
 
    auto properties(PhaseThermoModelResult& res, double T, double P) const -> void;
 
    auto properties(PhaseChemicalModelResult& res, double T, double P, VectorConstRef n) const -> void;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
auto operator<(const Phase& lhs, const Phase& rhs) -> bool;
 
auto operator==(const Phase& lhs, const Phase& rhs) -> bool;
 
} // namespace Reaktoro