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solver.cpp
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Created
Wed, Oct 9, 01:41
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Fri, Oct 11, 01:41 (1 d, 23 h)
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rSPECMICP SpecMiCP / ReactMiCP
solver.cpp
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#include "catch.hpp"
#include "utils.hpp"
#include "dfpmsolver/parabolic_driver.hpp"
#include "dfpm/meshes/uniform_mesh1d.hpp"
#include "reactmicp/systems/saturated_diffusion/transport_program.hpp"
#include "reactmicp/systems/saturated_diffusion/variables.hpp"
#include "reactmicp/systems/saturated_diffusion/transport_parameters.hpp"
#include "specmicp/reduced_system_solver.hpp"
using
namespace
specmicp
;
using
namespace
specmicp
::
reactmicp
;
using
namespace
specmicp
::
reactmicp
::
systems
;
using
namespace
specmicp
::
reactmicp
::
systems
::
siasaturated
;
TEST_CASE
(
"dfpm solver"
,
"[dfpm, solver]"
)
{
SECTION
(
"transport program"
)
{
std
::
shared_ptr
<
database
::
DataContainer
>
database
=
get_test_carbo_database
();
int
nb_nodes
=
5
;
EquilibriumState
initial_state
=
sample_carbo_composition
(
database
);
mesh
::
Mesh1DPtr
themesh
=
mesh
::
uniform_mesh1d
(
nb_nodes
,
1e-3
,
0.001
);
auto
parameters
=
std
::
make_shared
<
SaturatedDiffusionTransportParameters
>
(
nb_nodes
,
1e-8
,
0.2
);
SIASaturatedVariables
variables
(
database
,
themesh
,
parameters
);
SaturatedDiffusionProgram
the_program
(
themesh
,
database
,
parameters
);
Eigen
::
VectorXd
&
concentrations
=
variables
.
total_mobile_concentrations
();
concentrations
.
setOnes
();
concentrations
.
block
(
0
,
0
,
the_program
.
get_ndf
(),
1
).
setZero
();
the_program
.
number_equations
({
0
,});
dfpmsolver
::
ParabolicDriver
<
SaturatedDiffusionProgram
>
solver
(
the_program
);
double
dt
=
100
;
dfpmsolver
::
ParabolicDriverReturnCode
retcode
=
solver
.
solve_timestep
(
dt
,
concentrations
);
REQUIRE
(
retcode
==
dfpmsolver
::
ParabolicDriverReturnCode
::
ResidualMinimized
);
for
(
int
node
=
1
;
node
<
themesh
->
nb_nodes
();
++
node
)
{
for
(
int
component:
database
->
range_aqueous_component
())
{
the_program
.
external_flow
(
node
,
component
)
=
parameters
->
porosity
(
0
)
*
(
1.0
-
concentrations
(
the_program
.
get_dof_component
(
node
,
component
)))
/
(
parameters
->
density_water
()
*
dt
*
themesh
->
get_volume_cell
(
node
));
}
}
retcode
=
solver
.
restart_timestep
(
concentrations
);
REQUIRE
(
retcode
==
dfpmsolver
::
ParabolicDriverReturnCode
::
ResidualMinimized
);
}
SECTION
(
"micpsolver"
)
{
std
::
shared_ptr
<
database
::
DataContainer
>
database
=
get_test_carbo_database
();
database
::
Database
database_handler
(
database
);
int
nb_nodes
=
5
;
mesh
::
Mesh1DPtr
themesh
=
mesh
::
uniform_mesh1d
(
nb_nodes
,
1e-3
,
0.001
);
auto
parameters
=
std
::
make_shared
<
SaturatedDiffusionTransportParameters
>
(
nb_nodes
,
1e-8
,
0.2
);
SIASaturatedVariables
variables
(
database
,
themesh
,
parameters
);
EquilibriumState
initial_state
=
sample_carbo_composition
(
database
);
variables
.
update_composition
(
1
,
initial_state
);
Eigen
::
VectorXd
totconc
;
variables
.
nodal_update_total_amount
(
1
,
totconc
);
totconc
(
database_handler
.
component_label_to_id
(
"HCO3[-]"
))
+=
0.05
;
totconc
(
database_handler
.
component_label_to_id
(
"HO[-]"
))
-=
0.05
;
ReducedSystemSolverOptions
options
;
options
.
solver_options
.
max_factorization_step
=
1
;
ReducedSystemSolver
solver
(
database
,
totconc
,
options
);
Eigen
::
VectorXd
spec_var
(
variables
.
speciation_variables
().
col
(
1
));
specmicp
::
micpsolver
::
MiCPPerformance
perf
=
solver
.
solve
(
spec_var
);
REQUIRE
((
int
)
perf
.
return_code
==
(
int
)
specmicp
::
micpsolver
::
MiCPSolverReturnCode
::
ResidualMinimized
);
EquilibriumState
final_compo
=
solver
.
get_solution
(
spec_var
);
variables
.
update_composition
(
1
,
final_compo
);
}
}
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