ChemicalReaction.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
#include <limits>
#include <vector>
 
namespace ChemistryLib
{
namespace SelfContainedSolverData
{
struct ChemicalReaction
{
    explicit ChemicalReaction(std::vector<double> stoichiometric_vector_)
        : stoichiometric_vector(std::move(stoichiometric_vector_))
    {
    }
 
    virtual ~ChemicalReaction() = default;
 
    virtual double getKineticPrefactor() const
    {
        return std::numeric_limits<double>::quiet_NaN();
    }
 
    std::vector<double> stoichiometric_vector;
};

struct FirstOrderReaction : public ChemicalReaction
{
    FirstOrderReaction(std::vector<double> stoichiometric_vector_,
                       double first_order_rate_constant_)
        : ChemicalReaction(std::move(stoichiometric_vector_)),
          first_order_rate_constant(first_order_rate_constant_)
    {
    }
 
    double getKineticPrefactor() const override
    {
        return first_order_rate_constant;
    }

private:
    double first_order_rate_constant;
};
}  // namespace SelfContainedSolverData
}  // namespace ChemistryLib