Element.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/StringList.hpp>
#include <Reaktoro/Common/Types.hpp>
 
namespace Reaktoro {
 
class Element
{
public:
    struct Attribs
    {
        String symbol;
 
        double molar_mass = 0.0;
 
        String name;
 
        Strings tags;
    };
 
    Element();
 
    explicit Element(String symbol);
 
    explicit Element(const Attribs& attribs);
 
    auto clone() const -> Element;
 
    auto withSymbol(String symbol) const -> Element;
 
    auto withMolarMass(double value) const -> Element;
 
    auto withName(String name) const -> Element;
 
    auto withTags(const StringList& tags) const -> Element;
 
    auto symbol() const -> String;
 
    auto molarMass() const -> double;
 
    auto name() const -> String;
 
    auto tags() const -> const Strings&;
 
private:
    struct Impl;
 
    SharedPtr<Impl> pimpl;
};
 
auto operator<(const Element& lhs, const Element& rhs) -> bool;
 
auto operator==(const Element& lhs, const Element& rhs) -> bool;
 
} // namespace Reaktoro
 
// Custom specialization of std::hash for Reaktoro::Element
namespace std {
 
template<>
struct hash<Reaktoro::Element>
{
    std::size_t operator()(const Reaktoro::Element& e) const noexcept
    {
        return std::hash<std::string>{}(e.symbol());
    }
};
 
} // namespace std