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F90352083
diffusion.cpp
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rSPECMICP SpecMiCP / ReactMiCP
diffusion.cpp
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#include "catch.hpp"
#include "utils.hpp"
#include "reactmicp/systems/diffusion/diffusion.hpp"
#include "reactmicp/meshes/mesh1d.hpp"
#include "database/database.hpp"
using
namespace
specmicp
;
using
namespace
specmicp
::
reactmicp
;
using
namespace
specmicp
::
reactmicp
::
systems
;
using
namespace
specmicp
::
reactmicp
::
systems
::
diffusion
;
TEST_CASE
(
"Diffusion system"
,
"[Diffusion]"
)
{
DiffusionSecondaryVariables
::
Variables
var
;
std
::
shared_ptr
<
database
::
DataContainer
>
database
=
get_test_carbo_database
();
EquilibriumState
comp_bc
;
comp_bc
=
blank_composition
(
database
);
BoundaryCondition
bc_node0
;
bc_node0
.
node
=
0
;
bc_node0
.
composition
=
comp_bc
;
bc_node0
.
fix_all
();
ListBoundaryCondition
bcs
=
{
bc_node0
,};
EquilibriumState
initial_state
=
sample_carbo_composition
(
database
);
std
::
shared_ptr
<
mesh
::
Mesh1D
>
themesh
=
std
::
make_shared
<
mesh
::
Mesh1D
>
(
4
,
1e-3
,
0.001
);
std
::
shared_ptr
<
DiffusionParameter
>
parameters
=
std
::
make_shared
<
DiffusionParameter
>
(
1e-8
,
0.2
);
SECTION
(
"Creating a diffusion program"
)
{
DiffusionProgram
theprog
(
themesh
,
database
,
parameters
,
bcs
,
var
);
REQUIRE
(
theprog
.
get_neq
()
==
4
*
(
2
*
(
database
->
nb_component
-
1
)
+
database
->
nb_mineral
));
}
SECTION
(
"Initializing with initial state"
)
{
DiffusionProgram
theprog
(
themesh
,
database
,
parameters
,
bcs
,
initial_state
,
var
);
REQUIRE
(
theprog
.
get_neq
()
==
4
*
(
2
*
(
database
->
nb_component
-
1
)
+
database
->
nb_mineral
));
REQUIRE
(
std
::
abs
(
std
::
pow
(
10.0
,
var
.
displacement
((
database
->
nb_component
-
1
)))
-
comp_bc
.
molality_component
(
1
))
<
1e-7
);
REQUIRE
(
std
::
abs
(
std
::
pow
(
10.0
,
var
.
displacement
(
3
*
(
database
->
nb_component
-
1
)
+
database
->
nb_mineral
))
-
initial_state
.
molality_component
(
1
))
<
1e-7
);
Eigen
::
VectorXd
residual
(
Eigen
::
VectorXd
::
Zero
(
theprog
.
get_neq
()));
theprog
.
get_residuals
(
var
,
residual
);
REQUIRE
(
residual
.
cols
()
==
1
);
REQUIRE
(
residual
.
rows
()
==
theprog
.
get_neq
());
for
(
int
it
=
0
;
it
<
theprog
.
get_neq
();
++
it
)
{
REQUIRE
(
std
::
isfinite
(
residual
(
it
)));
}
SparseMatrix
jacob
;
theprog
.
get_jacobian
(
var
,
residual
,
jacob
,
1
);
REQUIRE
(
jacob
.
cols
()
==
theprog
.
get_neq
());
REQUIRE
(
jacob
.
rows
()
==
theprog
.
get_neq
());
REQUIRE
(
std
::
isfinite
(
jacob
.
norm
()));
}
}
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