coupling::CouplingCellPlotter< LinkedCell, dim > Class Template Reference

plots the coupling cell data. More...

#include <CouplingCellPlotter.h>

Classes
class	Writer4Cells
	class for writing coupling cell data to stringstreams. More...
class	Writer4Molecules
	class for writing molecule data to stringstreams. More...

Public Member Functions
	CouplingCellPlotter (unsigned int ID, std::string filename, unsigned int rank, unsigned int t, datastructures::LinkedCellContainer< LinkedCell, dim > &cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	a simple constructor
	~CouplingCellPlotter ()
	a simple destructor

Private Member Functions
void	plotMoleculeFile (unsigned int ID, std::string filename, unsigned int rank, unsigned int t, coupling::datastructures::LinkedCellContainer< LinkedCell, dim > &cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	writes molecule information to VTK file.
void	plotCouplingCellFile (unsigned int ID, std::string filename, unsigned int rank, unsigned int t, coupling::datastructures::LinkedCellContainer< LinkedCell, dim > &cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	writes molecule information + coupling cell information to VTK file.
void	open (unsigned int ID, std::string filename, std::string fileType, unsigned int rank, unsigned int t, std::ofstream &of)
	opens a file

Detailed Description

template<class LinkedCell, unsigned int dim>
class coupling::CouplingCellPlotter< LinkedCell, dim >

plots the coupling cell data.

Author

Philipp Neumann

Template Parameters

LinkedCell	the LinkedCell class is given by the implementation of linked cells in the molecular dynamics simulation
dim	refers to the spacial dimension of the simulation, can be 1, 2, or 3

Constructor & Destructor Documentation

CouplingCellPlotter()

template<class LinkedCell, unsigned int dim>

coupling::CouplingCellPlotter< LinkedCell, dim >::CouplingCellPlotter ( unsigned int ID, std::string filename, unsigned int rank, unsigned int t, datastructures::LinkedCellContainer< LinkedCell, dim > & cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inline

a simple constructor

Parameters

ID	the id of the md simulation
filename	name for the file
rank	mpi rank of the current process
t	number of time step to plot
cells	coupling cells to plot
mdSolverInterface	interface of the md solver

Member Function Documentation

open()

template<class LinkedCell, unsigned int dim>

void coupling::CouplingCellPlotter< LinkedCell, dim >::open ( unsigned int ID, std::string filename, std::string fileType, unsigned int rank, unsigned int t, std::ofstream & of )

inlineprivate

opens a file

Parameters

ID	the id of the md simulation
filename	name for the file
fileType	type of the file (e.g. vtk)
rank	mpi rank of the current process
t	number of time step to plot
of	this is the stream, where it will be written to

plotCouplingCellFile()

template<class LinkedCell, unsigned int dim>

void coupling::CouplingCellPlotter< LinkedCell, dim >::plotCouplingCellFile ( unsigned int ID, std::string filename, unsigned int rank, unsigned int t, coupling::datastructures::LinkedCellContainer< LinkedCell, dim > & cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inlineprivate

writes molecule information + coupling cell information to VTK file.

Parameters

ID	the id of the md simulation
filename	name for the file
rank	mpi rank of the current process
t	number of time step to plot
cells	coupling cells to plot
mdSolverInterface	interface of the md solver

plotMoleculeFile()

template<class LinkedCell, unsigned int dim>

void coupling::CouplingCellPlotter< LinkedCell, dim >::plotMoleculeFile ( unsigned int ID, std::string filename, unsigned int rank, unsigned int t, coupling::datastructures::LinkedCellContainer< LinkedCell, dim > & cells, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inlineprivate

writes molecule information to VTK file.

the file will contain the velocity, position, and potentials of the molecules

Parameters

ID	the id of the md simulation
filename	name for the file
rank	mpi rank of the current process
t	number of time step to plot
cells	coupling cells to plot
mdSolverInterface	interface of the md solver

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

• coupling/CouplingCellPlotter.h