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variables.hpp
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rSPECMICP SpecMiCP / ReactMiCP
variables.hpp
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#ifndef SPECMICP_REACTMICP_SATURATED_DIFFUSION_VARIABLES_HPP
#define SPECMICP_REACTMICP_SATURATED_DIFFUSION_VARIABLES_HPP
#include "reactmicp/systems/secondary_variables/secondary.hpp"
#include "specmicp/equilibrium_data.hpp"
#include "reactmicp/meshes/mesh1d.hpp"
#include "reactmicp/systems/saturated_diffusion/transport_parameters.hpp"
namespace
specmicp
{
namespace
reactmicp
{
namespace
systems
{
namespace
siasaturated
{
//! Variables for the SIASaturatedReactiveTransportSolver
class
SIASaturatedVariables
:
public
SecondaryVariables
<
SIASaturatedVariables
>
{
public
:
SIASaturatedVariables
(
RawDatabasePtr
thedatabase
,
std
::
shared_ptr
<
mesh
::
Mesh1D
>
themesh
,
std
::
shared_ptr
<
SaturatedDiffusionTransportParameters
>
theparam
)
:
SecondaryVariables
<
SIASaturatedVariables
>
(
themesh
->
nnodes
(),
thedatabase
),
m_data
(
thedatabase
),
m_mesh
(
themesh
),
m_param
(
theparam
),
m_total_mobile_concentration
(
Vector
((
thedatabase
->
nb_component
-
1
)
*
themesh
->
nnodes
())),
m_speciation_variables
(
Matrix
(
thedatabase
->
nb_component
+
thedatabase
->
nb_mineral
,
themesh
->
nnodes
()))
{}
index_t
get_dof_total_concentration
(
index_t
node
,
index_t
component
)
const
{
specmicp_assert
(
component
>=
1
and
component
<
m_data
->
nb_component
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
(
component
+
offset_total_component
())
+
(
m_data
->
nb_component
+
offset_total_component
())
*
node
;
}
//! Return the total mobile concentration of 'component' at 'node'
scalar_t
total_mobile_concentration
(
index_t
node
,
index_t
component
)
const
{
return
m_total_mobile_concentration
.
coeff
(
get_dof_total_concentration
(
node
,
component
));
}
//! Return a reference to the total mobile concentration of 'component' at 'node'
scalar_t
&
total_mobile_concentration
(
index_t
node
,
index_t
component
)
{
return
m_total_mobile_concentration
.
coeffRef
(
get_dof_total_concentration
(
node
,
component
));
}
Vector
&
total_mobile_concentrations
()
{
return
m_total_mobile_concentration
;
}
Eigen
::
Block
<
Vector
,
Eigen
::
Dynamic
,
1
>
total_mobile_concentrations
(
index_t
node
)
{
return
m_total_mobile_concentration
.
segment
(
node
*
(
m_data
->
nb_component
+
offset_total_component
()),
(
m_data
->
nb_component
+
offset_total_component
()));
}
//! Return the concentration of 'component' at 'node'
scalar_t
component_concentration
(
index_t
node
,
index_t
component
)
const
{
specmicp_assert
(
component
>=
1
and
component
<
m_data
->
nb_component
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
pow10
(
m_speciation_variables
.
coeff
(
component
+
offset_component
(),
node
));
}
//! Return the concentration of 'component' at 'node'
scalar_t
log_component_concentration
(
index_t
node
,
index_t
component
)
const
{
specmicp_assert
(
component
>=
1
and
component
<
m_data
->
nb_component
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
m_speciation_variables
.
coeff
(
component
+
offset_component
(),
node
);
}
//! Return a reference to the concentration of 'component' at 'node'
scalar_t
&
log_component_concentration
(
index_t
node
,
index_t
component
)
{
specmicp_assert
(
component
>=
1
and
component
<
m_data
->
nb_component
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
m_speciation_variables
.
coeffRef
(
component
+
offset_component
(),
node
);
}
//! Return the number of moles of 'mineral' at 'node'
scalar_t
mineral_amount
(
index_t
node
,
index_t
mineral
)
const
{
specmicp_assert
(
mineral
>=
0
and
mineral
<
m_data
->
nb_mineral
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
m_speciation_variables
.
coeff
(
offset_mineral
()
+
mineral
,
node
);
}
//! Return a reference to the number of moles of 'mineral' at 'node'
scalar_t
&
mineral_amount
(
index_t
node
,
index_t
mineral
)
{
specmicp_assert
(
mineral
>=
0
and
mineral
<
m_data
->
nb_mineral
);
specmicp_assert
(
node
>=
0
and
node
<
m_speciation_variables
.
cols
());
return
m_speciation_variables
.
coeffRef
(
offset_mineral
()
+
mineral
,
node
);
}
//! Reference to the speciation variables
Matrix
&
speciation_variables
()
{
return
m_speciation_variables
;
}
//! Eigen Expression to the speciation variables
Matrix
::
ColXpr
speciation_variables
(
index_t
node
)
{
return
m_speciation_variables
.
col
(
node
);
}
//! Return the chemical composition of a node - needed to initialize the speciation solver
EquilibriumState
equilibrium_composition
(
index_t
node
)
{
return
EquilibriumState
(
m_speciation_variables
.
col
(
node
),
m_secondary_concentration
.
col
(
node
),
m_secondary_variables
.
col
(
node
),
m_ionic_strength
(
node
),
m_data
);
}
//! Update the composition at 'node' using the EquilibriumState instance 'composition'
void
update_composition
(
index_t
node
,
const
EquilibriumState
&
composition
);
//! Return the total moles number for 'component' at 'node' from the speciation
scalar_t
immobile_total_amount
(
index_t
node
,
index_t
component
);
//! Return the mass of water at 'node'
scalar_t
mass_water
(
index_t
node
);
//! Compute the total moles number at 'node' using the transport mobile concentration
void
nodal_update_total_amount
(
index_t
node
,
Vector
&
total_amount
);
// Used in the update FEM->speciation
scalar_t
nodal_component_update_total_amount
(
index_t
node
,
index_t
component
);
private
:
// where the component informations are stored
index_t
offset_total_component
()
const
{
return
-
1
;}
// where the component informations are stored
index_t
offset_component
()
const
{
return
0
;}
// where the mineral informations are stored
index_t
offset_mineral
()
const
{
return
m_data
->
nb_component
+
offset_component
();}
RawDatabasePtr
m_data
;
std
::
shared_ptr
<
mesh
::
Mesh1D
>
m_mesh
;
std
::
shared_ptr
<
SaturatedDiffusionTransportParameters
>
m_param
;
Vector
m_total_mobile_concentration
;
Matrix
m_speciation_variables
;
};
}
// end namespace siasaturated
}
// end namespace systems
}
// end namespace reactmicp
}
// end namespace specmicp
#endif
// SPECMICP_REACTMICP_SATURATED_DIFFUSION_VARIABLES_HPP
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