QCOrdering Class Reference

#include <QCOrdering.hpp>

Inheritance diagram for QCOrdering:

Inheritance graph
[legend]
List of all members.

Detailed Description

class QCOrdering

Definition at line 38 of file QCOrdering.hpp.

Public Member Functions

int getFirstAOAt (const int i) const
int * getOrderingCells (void) const
int getParamIndexAt (const int i) const
void setFirstAOAt (const int i, const int val)
void setParamIndexAt (const int i, const int val)

Protected Member Functions

void allocateCells (const int size)
 QCOrdering (void)
 ~QCOrdering (void)

Protected Attributes

int * cells


Constructor & Destructor Documentation

QCOrdering::QCOrdering void   )  [inline, protected]
 

Definition at line 70 of file QCOrdering.hpp.

QCOrdering::~QCOrdering void   )  [inline, protected]
 

Definition at line 78 of file QCOrdering.hpp.

References cells.


Member Function Documentation

void QCOrdering::allocateCells const int  size  )  [inline, protected]
 

Definition at line 88 of file QCOrdering.hpp.

References cells, and ORDR_CELL_SIZE.

Referenced by QCSubDomain::allocStructures(), and QCSystem::init().

int QCOrdering::getFirstAOAt const int  i  )  const [inline]
 

Definition at line 47 of file QCOrdering.hpp.

References cells, FIRST_AO, and ORDR_CELL_SIZE.

Referenced by QCSubDomain::computeBFactor(), QCSubDomain::fillDensityArray(), QCSubDomain::initWeightedDensity(), QCSubDomain::traceProductCoreShell1(), QCMDSystem< TPSolver >::writeDensityOnFileAscii(), QCMDSystem< TPSolver >::writeLocalDensityOnFilesAscii(), and QCMDSystem< TPSolver >::writeOrbitalPartition().

int* QCOrdering::getOrderingCells void   )  const [inline]
 

Definition at line 60 of file QCOrdering.hpp.

References cells.

int QCOrdering::getParamIndexAt const int  i  )  const [inline]
 

Accessors

Definition at line 46 of file QCOrdering.hpp.

References cells, ORDR_CELL_SIZE, and PARAM_IDX.

Referenced by QCMDSystem< TPSolver >::addAtom(), QCSubDomain::computeBFactor(), QCSubDomain::fillDensityArray(), QCSubDomain::initWeightedDensity(), QCSystem::setSystemNumbers(), QCSubDomain::setSystemNumbers(), QCSubDomain::traceProductCoreShell1(), QCMDSystem< TPSolver >::writeDensityOnFileAscii(), QCMDSystem< TPSolver >::writeLocalDensityOnFilesAscii(), and QCMDSystem< TPSolver >::writeOrbitalPartition().

void QCOrdering::setFirstAOAt const int  i,
const int  val
[inline]
 

Definition at line 54 of file QCOrdering.hpp.

References cells, FIRST_AO, and ORDR_CELL_SIZE.

Referenced by QCSystem::setSystemNumbers(), and QCSubDomain::setSystemNumbers().

void QCOrdering::setParamIndexAt const int  i,
const int  val
[inline]
 

Mutators

Definition at line 53 of file QCOrdering.hpp.

References cells, ORDR_CELL_SIZE, and PARAM_IDX.

Referenced by QCMDSystem< TPSolver >::addAtom(), and QCSystem::setParamIndexes().


Member Data Documentation

int* QCOrdering::cells [protected]
 

The array

Definition at line 107 of file QCOrdering.hpp.

Referenced by allocateCells(), QCSubDomain::copyAtomOverlpInto(), getFirstAOAt(), getOrderingCells(), getParamIndexAt(), QCSubDomain::setAtomOverlpFrom(), setFirstAOAt(), setParamIndexAt(), QCSubDomain::unsetAtomOverlp(), and ~QCOrdering().


The documentation for this class was generated from the following file:
Generated on Sat Jan 28 21:07:34 2006 for QC++ by  doxygen 1.4.4