ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::XYZTrajectoryReader Class Reference

#include <XYZTrajectoryReader.h>

Inheritance diagram for ProtoMol::XYZTrajectoryReader:

ProtoMol::Reader ProtoMol::File List of all members.

Public Member Functions

 XYZTrajectoryReader ()
 XYZTrajectoryReader (const std::string &filename)
virtual ~XYZTrajectoryReader ()
virtual bool open ()
virtual bool open (const std::string &filename)
virtual bool open (const char *filename)
virtual bool tryFormat ()
virtual bool read ()
bool read (XYZ &xyz)
bool read (Vector3DBlock &coords, std::vector< std::string > &names)
XYZ getXYZ () const
Vector3DBlock * orphanCoords ()
std::vector< std::string > * orphanNames ()

Private Attributes

Vector3DBlock * myCoords
std::vector< std::string > * myNames
bool myFirst

Friends

XYZTrajectoryReader & operator>> (XYZTrajectoryReader &xyzReader, XYZ &xyz)
XYZTrajectoryReader & operator>> (XYZTrajectoryReader &xyzReader, Vector3DBlock &coords)

Detailed Description

Reads a XYY trajectory files (ASCII).

Constructor & Destructor Documentation

ProtoMol::XYZTrajectoryReader::XYZTrajectoryReader (   ) 
 

ProtoMol::XYZTrajectoryReader::XYZTrajectoryReader (  const std::string &  filename  )  [explicit]
 

ProtoMol::XYZTrajectoryReader::~XYZTrajectoryReader (   )  [virtual]
 

Member Function Documentation

XYZ ProtoMol::XYZTrajectoryReader::getXYZ (   )  const
 

virtual bool ProtoMol::XYZTrajectoryReader::open (  const char *  filename  )  [inline, virtual]
 

Implements ProtoMol::File.

virtual bool ProtoMol::XYZTrajectoryReader::open (  const std::string &  filename  )  [inline, virtual]
 

Implements ProtoMol::File.

virtual bool ProtoMol::XYZTrajectoryReader::open (   )  [inline, virtual]
 

Implements ProtoMol::File.

Vector3DBlock * ProtoMol::XYZTrajectoryReader::orphanCoords (   ) 
 

vector< string > * ProtoMol::XYZTrajectoryReader::orphanNames (   ) 
 

bool ProtoMol::XYZTrajectoryReader::read (  Vector3DBlock &  coords,
std::vector< std::string > &  names
) 
 

bool ProtoMol::XYZTrajectoryReader::read (  XYZ &  xyz  ) 
 

bool ProtoMol::XYZTrajectoryReader::read (   )  [virtual]
 

Simple test, true if it the format might be correct/readable.

Implements ProtoMol::Reader.

bool ProtoMol::XYZTrajectoryReader::tryFormat (   )  [virtual]
 

Implements ProtoMol::Reader.

Friends And Related Function Documentation

XYZTrajectoryReader& operator>> (  XYZTrajectoryReader &  xyzReader,
Vector3DBlock &  coords
)  [friend]
 

XYZTrajectoryReader& operator>> (  XYZTrajectoryReader &  xyzReader,
XYZ &  xyz
)  [friend]
 

Member Data Documentation

Vector3DBlock* ProtoMol::XYZTrajectoryReader::myCoords [private]
 

bool ProtoMol::XYZTrajectoryReader::myFirst [private]
 

std::vector<std::string>* ProtoMol::XYZTrajectoryReader::myNames [private]
 

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.