ReactionEquation.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 <string>
#include <map>
 
namespace Reaktoro {
 
class ReactionEquation
{
public:
    ReactionEquation();
 
    ReactionEquation(std::string equation);
 
    ReactionEquation(const std::map<std::string, double>& equation);
 
    auto empty() const -> bool;
 
    auto numSpecies() const -> unsigned;
 
    auto stoichiometry(std::string species) const -> double;
 
    auto equation() const -> const std::map<std::string, double>&;
 
    operator std::string() const;
 
private:
    std::string equation_str;
 
    std::map<std::string, double> equation_map;
};
 
auto operator<<(std::ostream& out, const ReactionEquation& equation) -> std::ostream&;
 
inline auto begin(const Reaktoro::ReactionEquation& equation) -> decltype(equation.equation().begin())
{
    return equation.equation().begin();
}
 
inline auto begin(Reaktoro::ReactionEquation& equation) -> decltype(equation.equation().begin())
{
    return equation.equation().begin();
}
 
inline auto end(const Reaktoro::ReactionEquation& equation) -> decltype(equation.equation().end())
{
    return equation.equation().end();
}
 
inline auto end(Reaktoro::ReactionEquation& equation) -> decltype(equation.equation().end())
{
    return equation.equation().end();
}
 
} // namespace Reaktoro