QCParameter Class Reference

#include <QCParameter.hpp>

Inheritance diagram for QCParameter:

Inheritance graph
[legend]
List of all members.

Detailed Description

class QCParameter

Definition at line 37 of file QCParameter.hpp.

Public Member Functions

int getAtomicNbZ (void) const
int getCoreCharge (void) const
int getIdentifier (void) const
int getNbAO (void) const
int getNbValenceElec (void) const
int getQuantumNumberN (void) const

Protected Member Functions

const QCParameterasBase (void) const
QCFloat getMass (void) const
 QCParameter (void)
void readSetOfParameters (QCReader *reader)
virtual ~QCParameter (void)

Protected Attributes

int atomicNbZ
int coreCharge
int identifier
QCFloat mass
int nbAO
int quantumNumberN

Static Private Attributes

static const string ATOMIC_NUMBER
static const string CORE_NUCLEAR_CHARGE
static const string IDENTIFIER
static const string MASS
static const string NB_VALENCE_ATOMIC_ORBITALS
static const string PRINCIPAL_QUANTUM_NUMBER

Friends

ostream & operator<< (ostream &out, const QCParameter &param)


Constructor & Destructor Documentation

QCParameter::QCParameter void   )  [protected]
 

Definition at line 40 of file QCParameter.cpp.

virtual QCParameter::~QCParameter void   )  [inline, protected, virtual]
 

Definition at line 69 of file QCParameter.hpp.


Member Function Documentation

const QCParameter& QCParameter::asBase void   )  const [inline, protected]
 

Reimplemented in QCMndoParam.

Definition at line 87 of file QCParameter.hpp.

int QCParameter::getAtomicNbZ void   )  const [inline]
 

Definition at line 51 of file QCParameter.hpp.

References atomicNbZ.

Referenced by operator<<().

int QCParameter::getCoreCharge void   )  const [inline]
 

Definition at line 52 of file QCParameter.hpp.

References coreCharge.

Referenced by operator<<().

int QCParameter::getIdentifier void   )  const [inline]
 

Accessors

Definition at line 48 of file QCParameter.hpp.

References identifier.

Referenced by operator<<().

QCFloat QCParameter::getMass void   )  const [inline, protected]
 

Definition at line 75 of file QCParameter.hpp.

References mass.

Referenced by operator<<().

int QCParameter::getNbAO void   )  const [inline]
 

Definition at line 49 of file QCParameter.hpp.

References nbAO.

Referenced by operator<<().

int QCParameter::getNbValenceElec void   )  const [inline]
 

Definition at line 53 of file QCParameter.hpp.

References coreCharge.

int QCParameter::getQuantumNumberN void   )  const [inline]
 

Definition at line 50 of file QCParameter.hpp.

References quantumNumberN.

Referenced by operator<<().

void QCParameter::readSetOfParameters QCReader reader  )  [protected]
 

Reimplemented in QCAm1Param, QCMndoParam, and QCPm3Param.

Definition at line 56 of file QCParameter.cpp.

References ATOMIC_NUMBER, atomicNbZ, CORE_NUCLEAR_CHARGE, coreCharge, identifier, IDENTIFIER, mass, MASS, NB_VALENCE_ATOMIC_ORBITALS, nbAO, PRINCIPAL_QUANTUM_NUMBER, quantumNumberN, QCReader::readLiteralAndVal(), and table.

Referenced by QCMndoParam::readSetOfParameters().

Here is the call graph for this function:


Friends And Related Function Documentation

ostream& operator<< ostream &  out,
const QCParameter param
[friend]
 

Definition at line 73 of file QCParameter.cpp.


Member Data Documentation

const string QCParameter::ATOMIC_NUMBER [static, private]
 

Definition at line 132 of file QCParameter.hpp.

Referenced by readSetOfParameters().

int QCParameter::atomicNbZ [protected]
 

Definition at line 106 of file QCParameter.hpp.

Referenced by getAtomicNbZ(), and readSetOfParameters().

const string QCParameter::CORE_NUCLEAR_CHARGE [static, private]
 

Definition at line 133 of file QCParameter.hpp.

Referenced by readSetOfParameters().

int QCParameter::coreCharge [protected]
 

Definition at line 110 of file QCParameter.hpp.

Referenced by getCoreCharge(), getNbValenceElec(), and readSetOfParameters().

const string QCParameter::IDENTIFIER [static, private]
 

Definition at line 130 of file QCParameter.hpp.

Referenced by readSetOfParameters().

int QCParameter::identifier [protected]
 

Definition at line 87 of file QCParameter.hpp.

Referenced by getIdentifier(), and readSetOfParameters().

const string QCParameter::MASS [static, private]
 

Definition at line 131 of file QCParameter.hpp.

Referenced by readSetOfParameters().

QCFloat QCParameter::mass [protected]
 

Definition at line 118 of file QCParameter.hpp.

Referenced by getMass(), and readSetOfParameters().

const string QCParameter::NB_VALENCE_ATOMIC_ORBITALS [static, private]
 

Definition at line 134 of file QCParameter.hpp.

Referenced by readSetOfParameters().

int QCParameter::nbAO [protected]
 

Definition at line 114 of file QCParameter.hpp.

Referenced by getNbAO(), and readSetOfParameters().

const string QCParameter::PRINCIPAL_QUANTUM_NUMBER [static, private]
 

Definition at line 135 of file QCParameter.hpp.

Referenced by readSetOfParameters().

int QCParameter::quantumNumberN [protected]
 

Definition at line 122 of file QCParameter.hpp.

Referenced by getQuantumNumberN(), and readSetOfParameters().


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