MineralMechanism.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 <vector>
 
// Reaktoro includes
#include <Reaktoro/Thermodynamics/Reactions/MineralCatalyst.hpp>
 
namespace Reaktoro {
 
struct MineralMechanism
{
    MineralMechanism();
 
    MineralMechanism(std::string mechanism);
 
    auto setRateConstant(double value, std::string unit) -> MineralMechanism&;
 
    auto setActivationEnergy(double value, std::string unit) -> MineralMechanism&;
 
    auto setPowerP(double value) -> MineralMechanism&;
 
    auto setPowerQ(double value) -> MineralMechanism&;
 
    auto setCatalysts(std::string catalysts) -> MineralMechanism&;
 
    auto setCatalysts(const MineralCatalyst& catalyst) -> MineralMechanism&;
 
    auto setCatalysts(const std::vector<MineralCatalyst>& catalysts) -> MineralMechanism&;
 
    double kappa = 0.0;
 
    double Ea = 0.0;
 
    double p = 1.0;
 
    double q = 1.0;
 
    std::vector<MineralCatalyst> catalysts;
};
 
auto operator<(const MineralMechanism& lhs, const MineralMechanism& rhs) -> bool;
 
auto operator==(const MineralMechanism& lhs, const MineralMechanism& rhs) -> bool;
 
} // namespace Reaktoro