ChemistryLib::ChemicalSolverInterface Class Reference

Detailed Description

Definition at line 32 of file ChemicalSolverInterface.h.

#include <ChemicalSolverInterface.h>

Inheritance diagram for ChemistryLib::ChemicalSolverInterface:

Collaboration diagram for ChemistryLib::ChemicalSolverInterface:

Public Member Functions
	ChemicalSolverInterface (MeshLib::Mesh const &mesh, GlobalLinearSolver &linear_solver_)
std::vector< std::size_t > const &	getElementIDs ()
virtual void	initialize ()
virtual void	initializeChemicalSystemConcrete (std::vector< double > const &, GlobalIndexType const &, MaterialPropertyLib::Medium const &, ParameterLib::SpatialPosition const &, double const)
virtual void	setChemicalSystemConcrete (std::vector< double > const &, GlobalIndexType const &, MaterialPropertyLib::Medium const *, MaterialPropertyLib::VariableArray const &, ParameterLib::SpatialPosition const &, double const, double const)
virtual void	setAqueousSolutionsPrevFromDumpFile ()
virtual void	executeSpeciationCalculation (double const dt)
virtual double	getConcentration (int const, GlobalIndexType const) const
virtual std::vector< std::string > const	getComponentList () const
virtual Eigen::SparseMatrix< double > const *	getStoichiometricMatrix () const
virtual double	getKineticPrefactor (std::size_t reaction_id) const
virtual void	updateVolumeFractionPostReaction (GlobalIndexType const &, MaterialPropertyLib::Medium const &, ParameterLib::SpatialPosition const &, double const, double const, double const)
virtual void	updatePorosityPostReaction (GlobalIndexType const &, MaterialPropertyLib::Medium const &, double &)
virtual void	computeSecondaryVariable (std::size_t const, std::vector< GlobalIndexType > const &)
virtual	~ChemicalSolverInterface ()=default

Public Attributes
std::vector< GlobalIndexType >	chemical_system_index_map
MeshLib::Mesh const &	_mesh
GlobalLinearSolver &	linear_solver

Constructor & Destructor Documentation

ChemicalSolverInterface()

ChemistryLib::ChemicalSolverInterface::ChemicalSolverInterface ( MeshLib::Mesh const & mesh, GlobalLinearSolver & linear_solver_ )

inline

Definition at line 35 of file ChemicalSolverInterface.h.

        : _mesh(mesh), linear_solver(linear_solver_)
    {
    }

~ChemicalSolverInterface()

virtual ChemistryLib::ChemicalSolverInterface::~ChemicalSolverInterface ( )

virtualdefault

Member Function Documentation

computeSecondaryVariable()

virtual void ChemistryLib::ChemicalSolverInterface::computeSecondaryVariable ( std::size_t const , std::vector< GlobalIndexType > const &  )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 111 of file ChemicalSolverInterface.h.

    {
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::computeReactionRelatedSecondaryVariable().

executeSpeciationCalculation()

virtual void ChemistryLib::ChemicalSolverInterface::executeSpeciationCalculation ( double const dt )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO, and ChemistryLib::PhreeqcKernelData::PhreeqcKernel.

Definition at line 69 of file ChemicalSolverInterface.h.

    {
    }

getComponentList()

virtual std::vector< std::string > const ChemistryLib::ChemicalSolverInterface::getComponentList ( ) const

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 80 of file ChemicalSolverInterface.h.

    {
        return {};
    }

getConcentration()

virtual double ChemistryLib::ChemicalSolverInterface::getConcentration ( int const , GlobalIndexType const  ) const

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 73 of file ChemicalSolverInterface.h.

    {
        return std::numeric_limits<double>::quiet_NaN();
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::assembleReactionEquationConcrete().

getElementIDs()

std::vector< std::size_t > const & ChemistryLib::ChemicalSolverInterface::getElementIDs ( )

inline

Definition at line 41 of file ChemicalSolverInterface.h.

    {
        return *_mesh.getProperties().template getPropertyVector<std::size_t>(
            "bulk_element_ids", MeshLib::MeshItemType::Cell, 1);
    }

References _mesh, MeshLib::Cell, and MeshLib::Mesh::getProperties().

getKineticPrefactor()

virtual double ChemistryLib::ChemicalSolverInterface::getKineticPrefactor ( std::size_t reaction_id ) const

inlinevirtual

Reimplemented in ChemistryLib::SelfContainedSolverData::SelfContainedSolver.

Definition at line 90 of file ChemicalSolverInterface.h.

    {
        return std::numeric_limits<double>::quiet_NaN();
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::assemble().

getStoichiometricMatrix()

virtual Eigen::SparseMatrix< double > const * ChemistryLib::ChemicalSolverInterface::getStoichiometricMatrix ( ) const

inlinevirtual

Reimplemented in ChemistryLib::SelfContainedSolverData::SelfContainedSolver.

Definition at line 85 of file ChemicalSolverInterface.h.

    {
        return nullptr;
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::assemble().

initialize()

virtual void ChemistryLib::ChemicalSolverInterface::initialize ( )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 47 of file ChemicalSolverInterface.h.

{}

initializeChemicalSystemConcrete()

virtual void ChemistryLib::ChemicalSolverInterface::initializeChemicalSystemConcrete ( std::vector< double > const & , GlobalIndexType const & , MaterialPropertyLib::Medium const & , ParameterLib::SpatialPosition const & , double const  )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 49 of file ChemicalSolverInterface.h.

    {
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::initializeChemicalSystemConcrete().

setAqueousSolutionsPrevFromDumpFile()

virtual void ChemistryLib::ChemicalSolverInterface::setAqueousSolutionsPrevFromDumpFile ( )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 67 of file ChemicalSolverInterface.h.

{}

setChemicalSystemConcrete()

virtual void ChemistryLib::ChemicalSolverInterface::setChemicalSystemConcrete ( std::vector< double > const & , GlobalIndexType const & , MaterialPropertyLib::Medium const * , MaterialPropertyLib::VariableArray const & , ParameterLib::SpatialPosition const & , double const , double const  )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 57 of file ChemicalSolverInterface.h.

    {
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::setChemicalSystemConcrete().

updatePorosityPostReaction()

virtual void ChemistryLib::ChemicalSolverInterface::updatePorosityPostReaction ( GlobalIndexType const & , MaterialPropertyLib::Medium const & , double &  )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 104 of file ChemicalSolverInterface.h.

    {
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::computeReactionRelatedSecondaryVariable(), and ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::postSpeciationCalculation().

updateVolumeFractionPostReaction()

virtual void ChemistryLib::ChemicalSolverInterface::updateVolumeFractionPostReaction ( GlobalIndexType const & , MaterialPropertyLib::Medium const & , ParameterLib::SpatialPosition const & , double const , double const , double const  )

inlinevirtual

Reimplemented in ChemistryLib::PhreeqcIOData::PhreeqcIO.

Definition at line 96 of file ChemicalSolverInterface.h.

    {
    }

Referenced by ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::postSpeciationCalculation().

Member Data Documentation

_mesh

MeshLib::Mesh const& ChemistryLib::ChemicalSolverInterface::_mesh

Definition at line 121 of file ChemicalSolverInterface.h.

Referenced by getElementIDs().

chemical_system_index_map

std::vector<GlobalIndexType> ChemistryLib::ChemicalSolverInterface::chemical_system_index_map

Definition at line 120 of file ChemicalSolverInterface.h.

Referenced by ChemistryLib::PhreeqcIOData::PhreeqcIO::initialize(), and ProcessLib::ComponentTransport::LocalAssemblerData< ShapeFunction, GlobalDim >::setChemicalSystemID().

linear_solver

GlobalLinearSolver& ChemistryLib::ChemicalSolverInterface::linear_solver

specify the linear solver used to solve the linearized reaction equation.

Definition at line 124 of file ChemicalSolverInterface.h.

Referenced by ProcessLib::ComponentTransport::ComponentTransportProcess::solveReactionEquation().

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The documentation for this class was generated from the following file:

• ChemistryLib/ChemicalSolverInterface.h