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equilibrium_stagger.cpp
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Tue, Jul 30, 10:10
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Thu, Aug 1, 10:10 (2 d)
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rSPECMICP SpecMiCP / ReactMiCP
equilibrium_stagger.cpp
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#include "catch.hpp"
#include "speciation_system.hpp"
#include "specmicp/adimensional/adimensional_system_solution.hpp"
#include "specmicp/adimensional/adimensional_system_solution_extractor.hpp"
#include "specmicp/adimensional/adimensional_system_solver_structs.hpp"
#include "dfpm/mesh.hpp"
#include "reactmicp/systems/saturated_react/variables.hpp"
#include "reactmicp/systems/saturated_react/init_variables.hpp"
#include "reactmicp/systems/saturated_react/equilibrium_stagger.hpp"
#include "dfpmsolver/parabolic_driver.hpp"
#include "reactmicp/systems/saturated_react/transport_stagger.hpp"
#include <iostream>
#include "utils/log.hpp"
TEST_CASE
(
"Equilibrium stagger"
,
"[SaturatedReact, chemistry, equilibrium, stagger]"
)
{
specmicp
::
logger
::
ErrFile
::
stream
()
=
&
std
::
cerr
;
specmicp
::
stdlog
::
ReportLevel
()
=
specmicp
::
logger
::
Warning
;
specmicp
::
units
::
UnitsSet
the_units
;
the_units
.
mass
=
specmicp
::
units
::
MassUnit
::
kilogram
;
the_units
.
length
=
specmicp
::
units
::
LengthUnit
::
centimeter
;
specmicp
::
mesh
::
Mesh1DPtr
the_mesh
=
specmicp
::
mesh
::
uniform_mesh1d
(
5
,
0.1
,
5.0
);
specmicp
::
RawDatabasePtr
the_database
=
leaching_database
();
std
::
vector
<
specmicp
::
AdimensionalSystemSolution
>
list_initial_composition
;
list_initial_composition
.
push_back
(
initial_leaching_pb
(
the_database
,
0.005
,
the_units
));
list_initial_composition
.
push_back
(
initial_blank_leaching_pb
(
the_database
,
0.005
,
the_units
));
std
::
vector
<
specmicp
::
index_t
>
list_fixed_nodes
=
{
0
,
};
std
::
vector
<
int
>
index_initial_state
=
{
1
,
0
,
0
,
0
,
0
};
specmicp
::
reactmicp
::
systems
::
satdiff
::
SaturatedVariablesPtr
variables
=
specmicp
::
reactmicp
::
systems
::
satdiff
::
init_variables
(
the_mesh
,
the_database
,
the_units
,
list_fixed_nodes
,
list_initial_composition
,
index_initial_state
);
for
(
specmicp
::
index_t
node:
the_mesh
->
range_nodes
())
{
variables
->
porosity
(
node
)
=
0.2
;
variables
->
diffusion_coefficient
(
node
)
=
1.0e-8
;
}
SECTION
(
"Initialisation"
)
{
specmicp
::
AdimensionalSystemConstraints
constraints
;
constraints
.
set_saturated_system
();
constraints
.
charge_keeper
=
1
;
specmicp
::
AdimensionalSystemSolverOptions
options
;
options
.
solver_options
.
maxstep
=
10.0
;
options
.
solver_options
.
max_iter
=
100
;
options
.
solver_options
.
maxiter_maxstep
=
100
;
options
.
solver_options
.
use_crashing
=
false
;
options
.
solver_options
.
use_scaling
=
false
;
options
.
solver_options
.
factor_descent_condition
=
-
1
;
options
.
solver_options
.
factor_gradient_search_direction
=
100
;
options
.
solver_options
.
projection_min_variable
=
1e-9
;
options
.
solver_options
.
fvectol
=
1e-6
;
options
.
solver_options
.
steptol
=
1e-14
;
options
.
system_options
.
non_ideality_tolerance
=
1e-10
;
options
.
units_set
=
the_units
;
variables
->
predictor
()
=
variables
->
displacement
();
specmicp
::
reactmicp
::
systems
::
satdiff
::
EquilibriumStagger
stagger
(
constraints
,
options
);
stagger
.
initialize_timestep
(
10
,
variables
);
stagger
.
restart_timestep
(
variables
);
REQUIRE
(
variables
->
displacement
()
==
variables
->
predictor
());
}
SECTION
(
"Transport + equilibrium"
)
{
specmicp
::
AdimensionalSystemConstraints
constraints
;
constraints
.
set_saturated_system
();
constraints
.
charge_keeper
=
1
;
specmicp
::
AdimensionalSystemSolverOptions
options
;
options
.
solver_options
.
maxstep
=
10.0
;
options
.
solver_options
.
max_iter
=
100
;
options
.
solver_options
.
maxiter_maxstep
=
100
;
options
.
solver_options
.
use_crashing
=
false
;
options
.
solver_options
.
use_scaling
=
false
;
options
.
solver_options
.
factor_descent_condition
=
-
1
;
options
.
solver_options
.
factor_gradient_search_direction
=
100
;
options
.
solver_options
.
projection_min_variable
=
1e-9
;
options
.
solver_options
.
fvectol
=
1e-6
;
options
.
solver_options
.
steptol
=
1e-14
;
options
.
system_options
.
non_ideality_tolerance
=
1e-10
;
options
.
units_set
=
the_units
;
variables
->
predictor
()
=
variables
->
displacement
();
specmicp
::
reactmicp
::
systems
::
satdiff
::
EquilibriumStagger
equilibrium_stagger
(
constraints
,
options
);
specmicp
::
reactmicp
::
systems
::
satdiff
::
SaturatedTransportStagger
transport_stagger
(
variables
,
list_fixed_nodes
);
transport_stagger
.
initialize_timestep
(
10
,
variables
);
equilibrium_stagger
.
initialize_timestep
(
10
,
variables
);
int
retcode
;
retcode
=
(
int
)
transport_stagger
.
restart_timestep
(
variables
);
REQUIRE
(
retcode
>
0
);
retcode
=
(
int
)
equilibrium_stagger
.
restart_timestep
(
variables
);
REQUIRE
(
retcode
>
0
);
REQUIRE
(
variables
->
displacement
()
!=
variables
->
predictor
());
}
}
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