VTKMoleculeWriterImplementation Class Reference

#include <VTKMoleculeWriterImplementation.h>

Public Member Functions
	VTKMoleculeWriterImplementation (int rank, bool plotCenters=false)
void	initializeVTKFile ()
void	plotMolecule (Molecule &molecule)
void	writeVTKFile (const std::string &fileName)
void	initializeParallelVTKFile (const std::vector< std::string > &fileNames)
void	writeParallelVTKFile (const std::string &fileName)
bool	isVTKFileInitialized ()
bool	isParallelVTKFileInitialized ()
unsigned int	getNumMoleculesPlotted ()

Detailed Description

This class contains the actual functionality for writing molecules as vtk unstructured grid data. Molecules are written as the points of the unstructured grid, thus there are no grid cells, as the molecules don't really form a grid.

It acts as an adapter to the serialization classes generated by codesynthesis xsd.

Constructor & Destructor Documentation

VTKMoleculeWriterImplementation()

VTKMoleculeWriterImplementation::VTKMoleculeWriterImplementation	(	int	rank,
		bool	plotCenters = false
	)

Parameters

rank	the MPI rank of the process

Member Function Documentation

initializeParallelVTKFile()

void VTKMoleculeWriterImplementation::initializeParallelVTKFile

(

const std::vector< std::string > &

fileNames

)

Initialize the data structures to write a parallel vtk file (i.e. a meta file describing the data and structure of the file a single node creates).

Parameters

fileNames

the names of the sequential files which are to be referenced

initializeVTKFile()

void VTKMoleculeWriterImplementation::initializeVTKFile

(

)

TODO: there's redundancy in adding the data members (the same has to be done for the parallel VTK File. -> use array of structs?

plotMolecule()

void VTKMoleculeWriterImplementation::plotMolecule

(

Molecule &

molecule

)

Plot a molecule.

Parameters

molecule

the molecule to plot

writeParallelVTKFile()

void VTKMoleculeWriterImplementation::writeParallelVTKFile

(

const std::string &

fileName

)

Write the xml-tree to a file on disc.

Parameters

fileName

the name of the file written

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

• src/io/vtk/VTKMoleculeWriterImplementation.h
• src/io/vtk/VTKMoleculeWriterImplementation.cpp