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

#include <DCDTrajectoryReader.h>

Inheritance diagram for ProtoMol::DCDTrajectoryReader:

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

Public Member Functions

 DCDTrajectoryReader ()
 DCDTrajectoryReader (const std::string &filename)
virtual ~DCDTrajectoryReader ()
virtual bool open ()
virtual bool open (const std::string &filename)
virtual bool open (const char *filename)
virtual bool tryFormat ()
virtual bool read ()
bool read (Vector3DBlock &coords)
XYZ getXYZ () const
Vector3DBlock * orphanCoords ()

Private Types

typedef TypeSelection::Int<
4 >::type 		int32
typedef TypeSelection::Float<
4 >::type 		float4

Private Attributes

std::vector< float4 > myX
std::vector< float4 > myY
std::vector< float4 > myZ
Vector3DBlock * myCoords
bool mySwapEndian
bool myFirst

Friends

DCDTrajectoryReader & operator>> (DCDTrajectoryReader &DCDTrajectoryReader, XYZ &xyz)
DCDTrajectoryReader & operator>> (DCDTrajectoryReader &DCDTrajectoryReader, Vector3DBlock &coords)

Detailed Description

Reads a DCD trajectory file, frame by frame. Automatic endianess detection.

Member Typedef Documentation

typedef TypeSelection::Float<4>::type ProtoMol::DCDTrajectoryReader::float4 [private]
 

typedef TypeSelection::Int<4>::type ProtoMol::DCDTrajectoryReader::int32 [private]
 

Constructor & Destructor Documentation

ProtoMol::DCDTrajectoryReader::DCDTrajectoryReader (   ) 
 

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

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

Member Function Documentation

XYZ ProtoMol::DCDTrajectoryReader::getXYZ (   )  const
 

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

Vector3DBlock * ProtoMol::DCDTrajectoryReader::orphanCoords (   ) 
 

bool ProtoMol::DCDTrajectoryReader::read (  Vector3DBlock &  coords  ) 
 

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

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

Implements ProtoMol::Reader.

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

Implements ProtoMol::Reader.

Friends And Related Function Documentation

DCDTrajectoryReader& operator>> (  DCDTrajectoryReader &  DCDTrajectoryReader,
Vector3DBlock &  coords
)  [friend]
 

DCDTrajectoryReader& operator>> (  DCDTrajectoryReader &  DCDTrajectoryReader,
XYZ &  xyz
)  [friend]
 

Member Data Documentation

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

bool ProtoMol::DCDTrajectoryReader::myFirst [private]
 

bool ProtoMol::DCDTrajectoryReader::mySwapEndian [private]
 

std::vector<float4> ProtoMol::DCDTrajectoryReader::myX [private]
 

std::vector<float4> ProtoMol::DCDTrajectoryReader::myY [private]
 

std::vector<float4> ProtoMol::DCDTrajectoryReader::myZ [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.