ReactionEquation.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/Species.hpp>
#include <Reaktoro/Core/SpeciesList.hpp>
 
namespace Reaktoro {
 
class ReactionEquation
{
public:
    ReactionEquation();
 
    ReactionEquation(Pairs<Species, double> const& species);
 
    ReactionEquation(String const& equation);
    ReactionEquation(Chars equation);
 
    ReactionEquation(String const& equation, SpeciesList const& species);
 
    auto empty() const -> bool;
 
    auto size() const -> Index;
 
    auto species() const -> Vec<Species>;
 
    auto coefficients() const -> Vec<double>;
 
    auto coefficient(const String& name) const -> double;
 
    operator String() const;
 
private:
    Pairs<Species, double> m_species;
 
public:
    inline auto begin() const { return m_species.begin(); }
 
    inline auto begin() { return m_species.begin(); }
 
    inline auto end() const { return m_species.end(); }
 
    inline auto end() { return m_species.end(); }
};
 
auto operator<(const ReactionEquation& lhs, const ReactionEquation& rhs) -> bool;
 
auto operator==(const ReactionEquation& lhs, const ReactionEquation& rhs) -> bool;
 
auto operator<<(std::ostream& out, const ReactionEquation& equation) -> std::ostream&;
 
} // namespace Reaktoro