coupling::cellmappings::MoleculeExtractor< LinkedCell, dim > Class Template Reference

This class extracts molecule information from a given coupling cell and stores all molecule positions in a vector. More...

#include <MoleculeExtractor.h>

Public Member Functions
	MoleculeExtractor (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	~MoleculeExtractor ()
void	beginCellIteration ()
void	endCellIteration ()
void	handleCell (LinkedCell &cell)
const std::vector< tarch::la::Vector< dim, double > > &	getExtractedMolecules () const

Private Attributes
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface
std::vector< tarch::la::Vector< dim, double > >	_molecules

Detailed Description

template<class LinkedCell, unsigned int dim>
class coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >

This class extracts molecule information from a given coupling cell and stores all molecule positions in a vector.

extracts molecule information from a given coupling cell and stores all molecule positions in a vector. This class is only meant for testing purposes! If you need individual access to molecules + some functionality, please do so in a separate cell-mapping and call it from the respective transfer strategy instance.

Template Parameters

LinkedCell	cell type
dim	Number of dimensions; it can be 1, 2 or 3

Author

Philipp Neumann

Constructor & Destructor Documentation

MoleculeExtractor()

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::MoleculeExtractor ( coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inline

Constructor

Parameters

mdSolverInterface

~MoleculeExtractor()

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::~MoleculeExtractor ( )

inline

Destructor

Member Function Documentation

beginCellIteration()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::beginCellIteration ( )

inline

clear the vector of the molecule position, to make sure it is empty before the iteration starts.

endCellIteration()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::endCellIteration ( )

inline

empty function

getExtractedMolecules()

template<class LinkedCell, unsigned int dim>

const std::vector< tarch::la::Vector< dim, double > > & coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::getExtractedMolecules ( ) const

inline

returns access to the extracted molecules.

Returns

_molecules

handleCell()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::MoleculeExtractor< LinkedCell, dim >::handleCell ( LinkedCell & cell )

inline

This function stores all molecule positions in a vector

Parameters

cell

---

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

• coupling/cell-mappings/MoleculeExtractor.h