OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::DumpReader Class Referencefinal

#include "io/DumpReader.hpp"

Public Member Functions

 DumpReader (SimInfo *info, const std::string &filename)
int getNFrames ()
 Returns the number of frames in the dump file.
void setNeedCOMprops (bool ncp)
void readFrame (int whichFrame)

Protected Member Functions

void scanFile ()
void readSet (int whichFrame)
void parseDumpLine (const std::string &)
void parseSiteLine (const std::string &)
void readFrameProperties (std::istream &inputStream)
int readStuntDoubles (std::istream &inputStream)
void readSiteData (std::istream &inputStream)

Protected Attributes

SimInfo * info_ {nullptr}
std::string filename_
bool isScanned_
int nframes_
std::ifstream inFile_
std::vector< std::streampos > framePos_
bool needPos_
bool needVel_
bool needQuaternion_
bool needAngMom_
bool needCOMprops_
bool readField_
char buffer [bufferSize]

Static Protected Attributes

static const int bufferSize = 4096

Detailed Description

Todo
get rid of more junk code from DumpReader

Definition at line 70 of file DumpReader.hpp.

Constructor & Destructor Documentation

◆ DumpReader()

OpenMD::DumpReader::DumpReader ( SimInfo * info,
const std::string & filename )

Definition at line 73 of file DumpReader.cpp.

◆ ~DumpReader()

OpenMD::DumpReader::~DumpReader ( )

Definition at line 96 of file DumpReader.cpp.

Member Function Documentation

◆ getNFrames()

int OpenMD::DumpReader::getNFrames ( void )

Returns the number of frames in the dump file.

Definition at line 103 of file DumpReader.cpp.

References getNFrames().

Referenced by getNFrames(), and OpenMD::PotDiff::process().

◆ parseDumpLine()

void OpenMD::DumpReader::parseDumpLine ( const std::string & line)
protected

Definition at line 327 of file DumpReader.cpp.

◆ parseSiteLine()

void OpenMD::DumpReader::parseSiteLine ( const std::string & line)
protected

The first token is the global integrable object index.

Test to see if the next token is an integer or not. If not, we've got data on the integrable object itself. If there is an integer, we're parsing data for a site on a rigid body.

The next token contains information on what follows.

Definition at line 518 of file DumpReader.cpp.

References OpenMD::StringTokenizer::countTokens(), OpenMD::RigidBody::getAtoms(), OpenMD::RigidBody::getNumAtoms(), OpenMD::StuntDouble::isAtom(), OpenMD::StuntDouble::isRigidBody(), OpenMD::StringTokenizer::nextToken(), OpenMD::StringTokenizer::nextTokenAsDouble(), OpenMD::StringTokenizer::nextTokenAsInt(), parseSiteLine(), OpenMD::StringTokenizer::peekNextToken(), OpenMD::StuntDouble::setDensity(), OpenMD::StuntDouble::setElectricField(), OpenMD::StuntDouble::setFlucQFrc(), OpenMD::StuntDouble::setFlucQPos(), OpenMD::StuntDouble::setFlucQVel(), OpenMD::StuntDouble::setParticlePot(), and OpenMD::StuntDouble::setSitePotential().

Referenced by parseSiteLine().

◆ readFrame()

void OpenMD::DumpReader::readFrame ( int whichFrame)

Definition at line 194 of file DumpReader.cpp.

◆ readFrameProperties()

void OpenMD::DumpReader::readFrameProperties ( std::istream & inputStream)
protected

Definition at line 677 of file DumpReader.cpp.

◆ readSet()

void OpenMD::DumpReader::readSet ( int whichFrame)
protected

Definition at line 240 of file DumpReader.cpp.

◆ readSiteData()

void OpenMD::DumpReader::readSiteData ( std::istream & inputStream)
protected

Definition at line 661 of file DumpReader.cpp.

◆ readStuntDoubles()

int OpenMD::DumpReader::readStuntDoubles ( std::istream & inputStream)
protected

Definition at line 636 of file DumpReader.cpp.

◆ scanFile()

void OpenMD::DumpReader::scanFile ( void )
protected

Definition at line 109 of file DumpReader.cpp.

◆ setNeedCOMprops()

void OpenMD::DumpReader::setNeedCOMprops ( bool ncp)
inline

Definition at line 78 of file DumpReader.hpp.

Member Data Documentation

◆ buffer

char OpenMD::DumpReader::buffer[bufferSize]
protected

Definition at line 110 of file DumpReader.hpp.

◆ bufferSize

const int OpenMD::DumpReader::bufferSize = 4096
staticprotected

Definition at line 109 of file DumpReader.hpp.

◆ filename_

std::string OpenMD::DumpReader::filename_
protected

Definition at line 93 of file DumpReader.hpp.

◆ framePos_

std::vector<std::streampos> OpenMD::DumpReader::framePos_
protected

Definition at line 100 of file DumpReader.hpp.

◆ inFile_

std::ifstream OpenMD::DumpReader::inFile_
protected

Definition at line 98 of file DumpReader.hpp.

◆ info_

SimInfo* OpenMD::DumpReader::info_ {nullptr}
protected

Definition at line 91 of file DumpReader.hpp.

◆ isScanned_

bool OpenMD::DumpReader::isScanned_
protected

Definition at line 94 of file DumpReader.hpp.

◆ needAngMom_

bool OpenMD::DumpReader::needAngMom_
protected

Definition at line 105 of file DumpReader.hpp.

◆ needCOMprops_

bool OpenMD::DumpReader::needCOMprops_
protected

Definition at line 106 of file DumpReader.hpp.

◆ needPos_

bool OpenMD::DumpReader::needPos_
protected

Definition at line 102 of file DumpReader.hpp.

◆ needQuaternion_

bool OpenMD::DumpReader::needQuaternion_
protected

Definition at line 104 of file DumpReader.hpp.

◆ needVel_

bool OpenMD::DumpReader::needVel_
protected

Definition at line 103 of file DumpReader.hpp.

◆ nframes_

int OpenMD::DumpReader::nframes_
protected

Definition at line 96 of file DumpReader.hpp.

◆ readField_

bool OpenMD::DumpReader::readField_
protected

Definition at line 107 of file DumpReader.hpp.

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