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specmicp/src/specmicp/kineticsdata.hpp
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kineticsdata.hpp
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/*-------------------------------------------------------
- Module : specmicp
- File : kineticsdata.hpp
- Author : Fabien Georget
Copyright (c) 2014, Fabien Georget, Princeton University
---------------------------------------------------------*/
#ifndef SPECMICP_SPECMICP_KINETICSDATA_HPP
#define SPECMICP_SPECMICP_KINETICSDATA_HPP
//! \file kineticsdata.hpp contains kinetic data
#include <vector>
#include <functional>
#include <memory>
#include <Eigen/Core>
namespace specmicp {
//! \brief The type of a kinetic rate function
//! Take the Saturation Index as argument and return a change in advancement (in mole)
using kinetic_rate_f = std::function<double (double)>;
//! \brief Contains the kinetic data needed for a computation
//!
//! Only minerals can be driven by kinetics
class KineticData
{
public:
using id_species_t = unsigned int;
KineticData():
m_nb_species(0)
{}
//! \brief Return the number of mineral governed by kinetics
id_species_t nb_species() {return m_nb_species;}
//! \brief Return the id of the species_gbk-th mineral governed by kinetics
id_species_t get_kinetic_species(id_species_t species_gbk) {return m_id_kinetics[species_gbk];}
//!\brief Return the kinetic rate of the species_gbk-th mineral governed by kinetics
kinetic_rate_f& get_kinetic_rate(id_species_t species_gbk) {return m_kinetics_rate[species_gbk];}
//! \brief add a species governed by kinetic
void add_kinetic_species(id_species_t id_species, kinetic_rate_f& kinetic_rate)
{
m_id_kinetics.push_back(id_species);
m_kinetics_rate.push_back(kinetic_rate);
++m_nb_species;
}
private:
unsigned int m_nb_species;
std::vector<id_species_t> m_id_kinetics;
std::vector<kinetic_rate_f> m_kinetics_rate;
};
} // end namespace specmicp
#endif // SPECMICP_SPECMICP_KINETICSDATA_HPP
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