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

#include <PDBReader.h>

Inheritance diagram for ProtoMol::PDBReader:

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

Public Member Functions

 PDBReader ()
 PDBReader (const std::string &filename)
virtual ~PDBReader ()
virtual bool open ()
virtual bool open (const std::string &filename)
virtual bool open (const char *filename)
virtual bool tryFormat ()
virtual bool read ()
bool read (PDB &pdb)
bool read (Vector3DBlock &coords, std::vector< PDB::PDBAtom > &atoms)
PDB getPDB () const
Vector3DBlock * orphanCoords ()
std::vector< PDB::PDBAtom > * orphanAtoms ()

Private Attributes

Vector3DBlock * myCoords
std::vector< PDB::PDBAtom > * myAtoms

Friends

PDBReader & operator>> (PDBReader &pdbReader, PDB &pdb)
PDBReader & operator>> (PDBReader &pdbReader, XYZ &xyz)
PDBReader & operator>> (PDBReader &pdbReader, Vector3DBlock &coords)

Detailed Description

Reads a PDB (ASCII) file, ATOM record only.

Constructor & Destructor Documentation

ProtoMol::PDBReader::PDBReader (   ) 
 

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

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

Member Function Documentation

PDB ProtoMol::PDBReader::getPDB (   )  const
 

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

std::vector< PDB::PDBAtom > * ProtoMol::PDBReader::orphanAtoms (   ) 
 

Vector3DBlock * ProtoMol::PDBReader::orphanCoords (   ) 
 

bool ProtoMol::PDBReader::read (  Vector3DBlock &  coords,
std::vector< PDB::PDBAtom > &  atoms
) 
 

bool ProtoMol::PDBReader::read (  PDB &  pdb  ) 
 

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

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

Implements ProtoMol::Reader.

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

Implements ProtoMol::Reader.

Friends And Related Function Documentation

PDBReader& operator>> (  PDBReader &  pdbReader,
Vector3DBlock &  coords
)  [friend]
 

PDBReader& operator>> (  PDBReader &  pdbReader,
XYZ &  xyz
)  [friend]
 

PDBReader& operator>> (  PDBReader &  pdbReader,
PDB &  pdb
)  [friend]
 

Member Data Documentation

std::vector<PDB::PDBAtom>* ProtoMol::PDBReader::myAtoms [private]
 

Vector3DBlock* ProtoMol::PDBReader::myCoords [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.