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

#include <iSGPARReader.h>

Inheritance diagram for ProtoMol::iSGPARReader:

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

Public Member Functions

 iSGPARReader (iSGPAR::CharmmTypeEnum charmmType=iSGPAR::UNDEFINED)
 iSGPARReader (const std::string &filename, iSGPAR::CharmmTypeEnum charmmType=iSGPAR::UNDEFINED)
 iSGPARReader (const char *filename, iSGPAR::CharmmTypeEnum charmmType=iSGPAR::UNDEFINED)
virtual ~iSGPARReader ()
virtual bool open ()
virtual bool open (const std::string &filename)
virtual bool open (const char *filename)
virtual bool tryFormat ()
virtual bool read ()
bool open (const std::string &filename, iSGPAR::CharmmTypeEnum charmmType)
bool open (const char *filename, iSGPAR::CharmmTypeEnum charmmType)
bool open (iSGPAR::CharmmTypeEnum charmmType)
void setCharmmType (iSGPAR::CharmmTypeEnum charmmType)
iSGPAR::CharmmTypeEnum getCharmmTypeDetected () const
void setNumComps (const int C)
bool read (iSGPAR &par)
iSGPAR * orphanPAR ()

Private Types

enum  PARRecordTypeEnum {
  UNDEFINED,
  BOND,
  ANGLE,
  DIHEDRAL,
  IMPROPER,
  NONBONDED,
  NBFIX,
  HBOND
}

Static Private Member Functions

bool isKeywordCharmm28 (const std::string &word)
bool isKeywordCharmm19 (const std::string &word)

Private Attributes

iSGPAR * myPAR
iSGPAR::CharmmTypeEnum myCharmmType
iSGPAR::CharmmTypeEnum myCharmmTypeDetected
int numComp

Friends

iSGPARReader & operator>> (iSGPARReader &parReader, iSGPAR &par)

Member Enumeration Documentation

enum ProtoMol::iSGPARReader::PARRecordTypeEnum [private]
 

Enumeration values:
UNDEFINED 
BOND 
ANGLE 
DIHEDRAL 
IMPROPER 
NONBONDED 
NBFIX 
HBOND 

Constructor & Destructor Documentation

ProtoMol::iSGPARReader::iSGPARReader (  iSGPAR::CharmmTypeEnum  charmmType = iSGPAR::UNDEFINED  )  [explicit]
 

ProtoMol::iSGPARReader::iSGPARReader (  const std::string &  filename,
iSGPAR::CharmmTypeEnum  charmmType = iSGPAR::UNDEFINED
)  [explicit]
 

ProtoMol::iSGPARReader::iSGPARReader (  const char *  filename,
iSGPAR::CharmmTypeEnum  charmmType = iSGPAR::UNDEFINED
)  [explicit]
 

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

Member Function Documentation

iSGPAR::CharmmTypeEnum ProtoMol::iSGPARReader::getCharmmTypeDetected (   )  const [inline]
 

bool ProtoMol::iSGPARReader::isKeywordCharmm19 (  const std::string &  word  )  [static, private]
 

bool ProtoMol::iSGPARReader::isKeywordCharmm28 (  const std::string &  word  )  [static, private]
 

bool ProtoMol::iSGPARReader::open (  iSGPAR::CharmmTypeEnum  charmmType  ) 
 

bool ProtoMol::iSGPARReader::open (  const char *  filename,
iSGPAR::CharmmTypeEnum  charmmType
)  [inline]
 

bool ProtoMol::iSGPARReader::open (  const std::string &  filename,
iSGPAR::CharmmTypeEnum  charmmType
) 
 

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

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

Implements ProtoMol::File.

iSGPAR * ProtoMol::iSGPARReader::orphanPAR (   ) 
 

bool ProtoMol::iSGPARReader::read (  iSGPAR &  par  ) 
 

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

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

Implements ProtoMol::Reader.

void ProtoMol::iSGPARReader::setCharmmType (  iSGPAR::CharmmTypeEnum  charmmType  )  [inline]
 

void ProtoMol::iSGPARReader::setNumComps (  const int  C  )  [inline]
 

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

Implements ProtoMol::Reader.

Friends And Related Function Documentation

iSGPARReader& operator>> (  iSGPARReader &  parReader,
iSGPAR &  par
)  [friend]
 

Member Data Documentation

iSGPAR::CharmmTypeEnum ProtoMol::iSGPARReader::myCharmmType [private]
 

iSGPAR::CharmmTypeEnum ProtoMol::iSGPARReader::myCharmmTypeDetected [private]
 

iSGPAR* ProtoMol::iSGPARReader::myPAR [private]
 

int ProtoMol::iSGPARReader::numComp [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.