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specmicp/src/reactmicp/systems/saturated_react/kinetic_stagger.hpp
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/*-------------------------------------------------------------------------------
Copyright (c) 2014,2015 F. Georget <fabieng@princeton.edu>, Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation and/or
other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its contributors
may be used to endorse or promote products derived from this software without
specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-----------------------------------------------------------------------------*/
#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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