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kinetic_stagger.hpp

/*-------------------------------------------------------------------------------
Copyright (c) 2014,2015 F. Georget <fabieng@princeton.edu>, Princeton University
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#ifndef SPECMICP_REACTMICP_SATDIFF_KINETICSTAGGER_HPP
#define SPECMICP_REACTMICP_SATDIFF_KINETICSTAGGER_HPP
//! \file saturated_react/kinetic_stagger.hpp
//! \brief The kinetic stagger for the saturated reactive transport solver
#include "../../solver/staggers_base/chemistry_stagger_base.hpp"
#include "variablesfwd.hpp"
#include "../../../specmicp/adimensional/adimensional_system_solver_structs.hpp"
#include "../../../specmicp/adimensional/adimensional_system_solution.hpp"
#include <functional>
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace satdiff {
using VariablesBase = solver::VariablesBase;
//! \brief The Kinetic model
//!
//! This is an abstract class.
class SPECMICP_DLL_PUBLIC KineticModelBase
{
public:
virtual ~KineticModelBase() {}
//! \brief Initialize a timestep
virtual void initialize_timestep(
scalar_t dt,
KineticSaturatedVariablesBasePtr kinetic_variables) = 0;
//! \brief Restart a timestep
virtual void restart_timestep(
index_t node,
const AdimensionalSystemSolution& eq_solution,
KineticSaturatedVariablesBasePtr kinetic_variables) = 0;
//! \brief Return the volume fraction of kinetic (or inert) phases
virtual scalar_t get_volume_fraction_kinetic(
index_t node,
KineticSaturatedVariablesBasePtr kinetic_variables) = 0;
//! \brief Return the velocity of the total immobile kinetic concentration for component
virtual scalar_t get_velocity_kinetic(
index_t node,
index_t component,
KineticSaturatedVariablesBasePtr kinetic_variables) = 0;
};
using KineticModelBasePtr = std::shared_ptr<KineticModelBase>;
//! \brief Solve the kinetic and equilibrium problems
class SPECMICP_DLL_PUBLIC KineticStagger: public solver::ChemistryStaggerBase
{
public:
KineticStagger(
index_t nb_nodes,
KineticModelBasePtr the_model,
AdimensionalSystemConstraints constraints,
AdimensionalSystemSolverOptions options
):
m_model(the_model),
m_id_constraints(nb_nodes, 0),
m_list_constraints({constraints,}),
m_options(options)
{}
KineticStagger(
KineticModelBasePtr the_model,
std::vector<AdimensionalSystemConstraints> list_constraints,
std::vector<int> index_constraints,
AdimensionalSystemSolverOptions options
):
m_model(the_model),
m_id_constraints(index_constraints),
m_list_constraints(list_constraints),
m_options(options)
{}
//! \brief Initialize the stagger at the beginning of the computation
virtual void initialize(VariablesBase * const var) override {}
//! \brief Initializze the stagger at the beginning of the computation
void initialize(std::shared_ptr<SaturatedVariables>& _) {}
//! \brief Initialize the stagger at the beginning of an iteration
virtual void initialize_timestep(
scalar_t dt,
VariablesBase * const var
) override;
//! \brief Solve the equation for the timestep
virtual solver::StaggerReturnCode restart_timestep(
VariablesBase * const var) override;
//! \brief Solve the speciation problem at one node
int solve_one_node(index_t node, SaturatedVariables * const var);
//! \brief Return the constraints for 'node'
//!
//! \param node Index of the node
AdimensionalSystemConstraints& get_constraints(index_t node) {
return m_list_constraints[m_id_constraints[node]];
}
private:
scalar_t m_dt {-1.0};
KineticModelBasePtr m_model;
std::vector<int> m_id_constraints;
std::vector<AdimensionalSystemConstraints> m_list_constraints;
AdimensionalSystemSolverOptions m_options;
};
} // end namespace satdiff
} // end namespace systems
} // end namespace reactmicp
} // end namespace specmicp
#endif // SPECMICP_REACTMICP_SATDIFF_KINETICSTAGGER_HPP

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