QCFiles Class Reference

#include <QCFiles.hpp>

List of all members.


Detailed Description

class QCFiles

Definition at line 37 of file QCFiles.hpp.

Public Member Functions

std::string & atomsFile (void)
std::string atomsFile (void) const
const std::string & getAtomsFile (void) const
const std::string & getDensityFile (void) const
const string & getGeneralFile (void) const
const std::string & getParameterFile (void) const
const std::string & getPartitionFile (void) const
const std::string & getResultFile (void) const
std::string & parameterFile (void)
std::string parameterFile (void) const
std::string & partitionFile (void)
std::string partitionFile (void) const
 QCFiles (void)
std::string & resultFile (void)
std::string resultFile (void) const
 ~QCFiles (void)

Private Member Functions

std::map< std::string, std::string * > & getMap (void)

Private Attributes

std::string _atomsFile
std::string _densityFile
std::string _generalFile
std::string _parameterFile
std::string _partitionFile
std::map< std::string, std::string * > _refs
std::string _resultFile

Friends

class QCReader


Constructor & Destructor Documentation

QCFiles::QCFiles void   ) 
 

Definition at line 27 of file QCFiles.cpp.

References _atomsFile, _densityFile, _generalFile, _parameterFile, _partitionFile, _refs, _resultFile, QCReader::ATOMS_FILE, QCReader::DENSITY_FILE, QCReader::GENERAL_FILE, QCReader::PARAMETER_FILE, QCReader::PARTITION_FILE, and QCReader::RESULT_FILE.

QCFiles::~QCFiles void   ) 
 

Definition at line 40 of file QCFiles.cpp.

References QC_TRACE_END.


Member Function Documentation

std::string& QCFiles::atomsFile void   )  [inline]
 

Definition at line 76 of file QCFiles.hpp.

References _atomsFile.

std::string QCFiles::atomsFile void   )  const [inline]
 

Definition at line 75 of file QCFiles.hpp.

References _atomsFile.

Referenced by main().

const std::string& QCFiles::getAtomsFile void   )  const [inline]
 

Definition at line 74 of file QCFiles.hpp.

References _atomsFile.

Referenced by QCKimikaPartitioner< TPSystem >::extractDomains(), QCKimikaPartitioner< TPSystem >::init(), operator<<(), and QCKimikaPartitioner< TPSystem >::writeInventorFiles().

const std::string& QCFiles::getDensityFile void   )  const [inline]
 

return the name of the file which contains the global density matrix we read.

Definition at line 97 of file QCFiles.hpp.

References _densityFile.

Referenced by operator<<(), QCGlobalSystem< TPSolver >::readDensityFromFile(), QCMDSystem< TPSolver >::readDensityFromFileAscii(), QCGlobalSystem< TPSolver >::readDensityFromFileAscii(), and QCGlobalSystem< TPSolver >::readDensityFromFileBinary().

const string& QCFiles::getGeneralFile void   )  const [inline]
 

Definition at line 59 of file QCFiles.hpp.

References _generalFile.

Referenced by main(), and operator<<().

std::map<std::string, std::string *>& QCFiles::getMap void   )  [inline, private]
 

Definition at line 110 of file QCFiles.hpp.

References _refs.

Referenced by QCReader::readMasterFile().

const std::string& QCFiles::getParameterFile void   )  const [inline]
 

Definition at line 65 of file QCFiles.hpp.

References _parameterFile.

Referenced by operator<<().

const std::string& QCFiles::getPartitionFile void   )  const [inline]
 

Definition at line 90 of file QCFiles.hpp.

References _partitionFile.

Referenced by operator<<(), and QCPartitioner< TPSystem >::readFromFile().

const std::string& QCFiles::getResultFile void   )  const [inline]
 

Return the generic name of the file for all results

Definition at line 82 of file QCFiles.hpp.

References _resultFile.

Referenced by QCGlobalSystem< TPSolver >::writeDensityOnFileAscii(), QCGlobalSystem< TPSolver >::writeDensityOnFileBinary(), QCPartitioner< TPSystem >::writeInFile(), QCMDSystem< TPSolver >::writeSystemOnFile(), and QCGlobalSystem< TPSolver >::writeSystemOnFile().

std::string& QCFiles::parameterFile void   )  [inline]
 

Definition at line 67 of file QCFiles.hpp.

References _parameterFile.

std::string QCFiles::parameterFile void   )  const [inline]
 

Definition at line 66 of file QCFiles.hpp.

References _parameterFile.

Referenced by main().

std::string& QCFiles::partitionFile void   )  [inline]
 

Definition at line 92 of file QCFiles.hpp.

References _partitionFile.

std::string QCFiles::partitionFile void   )  const [inline]
 

Definition at line 91 of file QCFiles.hpp.

References _partitionFile.

Referenced by main().

std::string& QCFiles::resultFile void   )  [inline]
 

Definition at line 84 of file QCFiles.hpp.

References _resultFile.

std::string QCFiles::resultFile void   )  const [inline]
 

Definition at line 83 of file QCFiles.hpp.

References _resultFile.

Referenced by main(), and operator<<().


Friends And Related Function Documentation

friend class QCReader [friend]
 

Definition at line 40 of file QCFiles.hpp.


Member Data Documentation

std::string QCFiles::_atomsFile [private]
 

Definition at line 128 of file QCFiles.hpp.

Referenced by atomsFile(), getAtomsFile(), and QCFiles().

std::string QCFiles::_densityFile [private]
 

Density file name to initialize the density matrix.

Definition at line 140 of file QCFiles.hpp.

Referenced by getDensityFile(), and QCFiles().

std::string QCFiles::_generalFile [private]
 

Definition at line 110 of file QCFiles.hpp.

Referenced by getGeneralFile(), and QCFiles().

std::string QCFiles::_parameterFile [private]
 

Definition at line 124 of file QCFiles.hpp.

Referenced by getParameterFile(), parameterFile(), and QCFiles().

std::string QCFiles::_partitionFile [private]
 

Definition at line 136 of file QCFiles.hpp.

Referenced by getPartitionFile(), partitionFile(), and QCFiles().

std::map<std::string, std::string *> QCFiles::_refs [private]
 

Definition at line 144 of file QCFiles.hpp.

Referenced by getMap(), and QCFiles().

std::string QCFiles::_resultFile [private]
 

Generic File Name to store all final results.

Definition at line 132 of file QCFiles.hpp.

Referenced by getResultFile(), QCFiles(), and resultFile().


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