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kinetic_stagger.hpp
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rSPECMICP SpecMiCP / ReactMiCP
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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