OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::DumpReader Class Reference

#include "io/DumpReader.hpp"

Public Member Functions

 DumpReader (SimInfo *info, const std::string &filename)
 
virtual ~DumpReader ()
 
int getNFrames ()
 
void setNeedCOMprops (bool ncp)
 
virtual void readFrame (int whichFrame)
 

Protected Member Functions

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

Protected Attributes

SimInfoinfo_
 
std::string filename_
 
bool isScanned_
 
int nframes_
 
std::istream * inFile_
 
std::vector< std::streampos > framePos_
 
bool needPos_
 
bool needVel_
 
bool needQuaternion_
 
bool needAngMom_
 
bool needCOMprops_
 
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 63 of file DumpReader.hpp.

Constructor & Destructor Documentation

◆ DumpReader()

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

◆ ~DumpReader()

OpenMD::DumpReader::~DumpReader ( )
virtual

Definition at line 98 of file DumpReader.cpp.

References checkPointMsg, errorCheckPoint(), inFile_, and worldRank.

Member Function Documentation

◆ getNFrames()

◆ parseDumpLine()

◆ parseSiteLine()

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

◆ readFrame()

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

Definition at line 205 of file DumpReader.cpp.

References OpenMD::DataStorage::dslAmat, OpenMD::DataStorage::dslAngularMomentum, OpenMD::DataStorage::dslDipole, OpenMD::DataStorage::dslPosition, OpenMD::DataStorage::dslQuadrupole, OpenMD::DataStorage::dslVelocity, OpenMD::Thermo::getAngularMomentum(), OpenMD::Thermo::getCom(), OpenMD::Thermo::getComAll(), OpenMD::SimInfo::getSnapshotManager(), OpenMD::SnapshotManager::getStorageLayout(), info_, isScanned_, needAngMom_, needCOMprops_, needPos_, needQuaternion_, needVel_, readSet(), and scanFile().

Referenced by OpenMD::SequentialAnalyzer::doSequence(), OpenMD::SimCreator::loadCoordinates(), OpenMD::BlockSnapshotManager::loadFrame(), main(), OpenMD::DensityPlot::process(), OpenMD::ObjectCount::process(), OpenMD::RippleOP::process(), OpenMD::NanoLength::process(), OpenMD::MultipoleSum::process(), OpenMD::P2OrderParameter::process(), OpenMD::NitrileFrequencyMap::process(), OpenMD::RhoR::process(), OpenMD::AngleR::process(), OpenMD::Field< Vector3d >::process(), OpenMD::PotDiff::process(), OpenMD::BOPofR::process(), OpenMD::SurfaceDiffusion::process(), OpenMD::NanoVolume::process(), OpenMD::RadialDistrFunc::process(), OpenMD::RhoZ::process(), OpenMD::BondAngleDistribution::process(), OpenMD::SpatialStatistics::process(), OpenMD::pAngle::process(), OpenMD::HBondGeometric::process(), OpenMD::CoordinationNumber::process(), OpenMD::SCDOrderParameter::process(), OpenMD::Hxy::process(), OpenMD::TetrahedralityHBMatrix::process(), OpenMD::TetrahedralityParamXYZ::process(), OpenMD::TetrahedralityParam::process(), OpenMD::TetrahedralityParamZ::process(), OpenMD::TetrahedralityParamDens::process(), OpenMD::BondOrderParameter::process(), and setNeedCOMprops().

◆ readFrameProperties()

◆ readSet()

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

◆ readSiteData()

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

Definition at line 684 of file DumpReader.cpp.

References buffer, bufferSize, and parseSiteLine().

Referenced by readSet(), and setNeedCOMprops().

◆ readStuntDoubles()

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

◆ scanFile()

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

◆ setNeedCOMprops()

Member Data Documentation

◆ buffer

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

◆ bufferSize

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

◆ filename_

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

Definition at line 92 of file DumpReader.hpp.

Referenced by DumpReader(), and scanFile().

◆ framePos_

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

Definition at line 99 of file DumpReader.hpp.

Referenced by readSet(), and scanFile().

◆ inFile_

std::istream* OpenMD::DumpReader::inFile_
protected

Definition at line 97 of file DumpReader.hpp.

Referenced by DumpReader(), readSet(), scanFile(), and ~DumpReader().

◆ info_

SimInfo* OpenMD::DumpReader::info_
protected

Definition at line 90 of file DumpReader.hpp.

Referenced by parseDumpLine(), parseSiteLine(), readFrame(), and readFrameProperties().

◆ isScanned_

bool OpenMD::DumpReader::isScanned_
protected

Definition at line 93 of file DumpReader.hpp.

Referenced by getNFrames(), readFrame(), and scanFile().

◆ needAngMom_

bool OpenMD::DumpReader::needAngMom_
protected

Definition at line 104 of file DumpReader.hpp.

Referenced by parseDumpLine(), and readFrame().

◆ needCOMprops_

bool OpenMD::DumpReader::needCOMprops_
protected

Definition at line 105 of file DumpReader.hpp.

Referenced by readFrame(), and setNeedCOMprops().

◆ needPos_

bool OpenMD::DumpReader::needPos_
protected

Definition at line 101 of file DumpReader.hpp.

Referenced by parseDumpLine(), and readFrame().

◆ needQuaternion_

bool OpenMD::DumpReader::needQuaternion_
protected

Definition at line 103 of file DumpReader.hpp.

Referenced by parseDumpLine(), and readFrame().

◆ needVel_

bool OpenMD::DumpReader::needVel_
protected

Definition at line 102 of file DumpReader.hpp.

Referenced by parseDumpLine(), and readFrame().

◆ nframes_

int OpenMD::DumpReader::nframes_
protected

Definition at line 95 of file DumpReader.hpp.

Referenced by getNFrames(), and scanFile().


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