FileManager Class Reference

The FileManager class provides functionality to save the current state of a MoleculeSystem with proper unit conversions. More...

#include <filemanager.h>

Collaboration diagram for FileManager:

Public Types
enum	FileFormat { XyzFormat, HDF5Format }

Public Member Functions
	FileManager (MoleculeSystem *system)
bool	load (string fileName)
bool	loadBinary (string fileName)
bool	save (int step)
bool	saveXyz (int step)
bool	saveBinary (int step)
void	setOutFileName (string fileName)
void	setUnitLength (double unitLength)
void	setUnitTime (double unitTime)
void	setUnitMass (double unitMass)
void	setUnitTemperature (double unitTemperature)
void	setConfigurationName (string configurationName)
string	parseFileName (string fileName)
bool	setLatestSymlink (int step)
string	headerFileNameFromStep (int step)
string	processorName ()
string	lammpsFileNameFromStep (int step)

Protected Attributes
string	m_outFileName
FileFormat	outFileFormat
MoleculeSystem *	m_moleculeSystem
double	m_unitLength
double	m_unitTime
double	m_unitEnergy
double	m_unitMass
double	m_unitTemperature
string	m_configurationName

Detailed Description

The FileManager class provides functionality to save the current state of a MoleculeSystem with proper unit conversions.

Member Enumeration Documentation

enum FileManager::FileFormat

Enumerator
XyzFormat
HDF5Format

Constructor & Destructor Documentation

FileManager::FileManager

(

MoleculeSystem *

system)

Member Function Documentation

string FileManager::headerFileNameFromStep

(

int

step)

string FileManager::lammpsFileNameFromStep

(

int

step)

bool FileManager::load

(

string

fileName)

bool FileManager::loadBinary

(

string

fileName)

string FileManager::parseFileName

(

string

fileName)

string FileManager::processorName

(

)

bool FileManager::save

(

int

step)

bool FileManager::saveBinary

(

int

step)

bool FileManager::saveXyz

(

int

step)

void FileManager::setConfigurationName ( string  configurationName)

inline

bool FileManager::setLatestSymlink

(

int

step)

void FileManager::setOutFileName

(

string

fileName)

void FileManager::setUnitLength

(

double

unitLength)

void FileManager::setUnitMass

(

double

unitMass)

void FileManager::setUnitTemperature

(

double

unitTemperature)

void FileManager::setUnitTime

(

double

unitTime)

Member Data Documentation

string FileManager::m_configurationName

protected

MoleculeSystem* FileManager::m_moleculeSystem

protected

string FileManager::m_outFileName

protected

double FileManager::m_unitEnergy

protected

double FileManager::m_unitLength

protected

double FileManager::m_unitMass

protected

double FileManager::m_unitTemperature

protected

double FileManager::m_unitTime

protected

FileFormat FileManager::outFileFormat

protected

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

• /home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/filemanager.h
• /home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/filemanager.cpp