CriticalProps.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/Real.hpp>
#include <Reaktoro/Common/StringList.hpp>
#include <Reaktoro/Common/Types.hpp>
 
namespace Reaktoro {
 
struct SubstanceCriticalPropsData
{
    real Tcr;
 
    real Pcr;
 
    real omega;
};
 
class SubstanceCriticalProps
{
public:
    SubstanceCriticalProps(StringList const& names);
 
    SubstanceCriticalProps(SubstanceCriticalPropsData const& data, StringList const& names);
 
    auto setTemperature(real value, String unit) -> void;
 
    auto setPressure(real value, String unit) -> void;
 
    auto setAcentricFactor(real value) -> void;
 
    auto names() const -> Strings const&;
 
    auto temperature() const -> real;
 
    auto pressure() const -> real;
 
    auto acentricFactor() const -> real;
 
    auto data() const -> SubstanceCriticalPropsData const&;
 
    operator SubstanceCriticalPropsData() const;
 
private:
    SubstanceCriticalPropsData m_data;
 
    Strings m_names;
};
 
class CriticalProps
{
public:
    CriticalProps(CriticalProps const&) = delete;
 
    auto operator=(CriticalProps const&) -> CriticalProps& = delete;
 
    static auto instance() -> CriticalProps&;
 
    static auto data() -> Deque<SubstanceCriticalProps> const&;
 
    static auto defaultCriticalProps() -> Optional<SubstanceCriticalProps> const&;
 
    static auto append(SubstanceCriticalProps crprops) -> void;
 
    static auto overwrite(SubstanceCriticalProps crprops) -> void;
 
    static auto setMissingAs(String const& substance) -> void;
 
    static auto size() -> Index;
 
    static auto find(String const& substance) -> Index;
 
    static auto get(String const& substance) -> Optional<SubstanceCriticalProps>;
 
    static auto get(StringList const& substances) -> Optional<SubstanceCriticalProps>;
 
    auto begin() const { return data().begin(); }
 
    auto begin() { return data().begin(); }
 
    auto end() const { return data().end(); }
 
    auto end() { return data().end(); }
 
private:
    Deque<SubstanceCriticalProps> m_data;
 
    Optional<SubstanceCriticalProps> m_default_crprops;
 
private:
    CriticalProps();
 
    ~CriticalProps();
};
 
} // namespace Reaktoro