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chemistry.hpp
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Mon, Oct 7, 16:26
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rSPECMICP SpecMiCP / ReactMiCP
chemistry.hpp
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#ifndef SPECMICP_REACTMICP_EQUILIBRIUMCURVE_CHEMISTRY_HPP
#define SPECMICP_REACTMICP_EQUILIBRIUMCURVE_CHEMISTRY_HPP
#include "specmicp/adimensional/equilibrium_curve.hpp"
#include "physics/units.hpp"
namespace
specmicp
{
namespace
reactmicp
{
//! \namespace eqcurve Equilibrium approach to reactive transport
namespace
eqcurve
{
class
EquilibriumCurveSpeciation
:
public
EquilibriumCurve
,
public
units
::
UnitBaseClass
{
public
:
EquilibriumCurveSpeciation
(
RawDatabasePtr
thedatabase
,
AdimensionalSystemConstraints
constraints
,
index_t
id_component
,
AdimensionalSystemSolverOptions
options
)
:
EquilibriumCurve
(
thedatabase
,
constraints
),
UnitBaseClass
(
options
.
units_set
),
m_data
(
thedatabase
),
m_idc
(
id_component
)
{
solver_options
()
=
options
;
}
void
output
();
void
update_problem
();
Matrix
get_equilibrium_curve
(
scalar_t
end_total_concentration
,
scalar_t
delta
);
Vector
get_perturbation
();
void
error_handling
(
std
::
string
msg
)
const
;
private
:
RawDatabasePtr
m_data
;
index_t
m_idc
;
Matrix
m_eqcurve
;
index_t
m_cnt
;
scalar_t
m_delta
;
};
}
// end namespace eqcurve
}
// end namespace reactmicp
}
// end namespace specmicp
#endif
// SPECMICP_REACTMICP_EQUILIBRIUMCURVE_CHEMISTRY_HPP
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