#include <QCParameter.hpp>
Inheritance diagram for 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 QCParameter & | asBase (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 ¶m) |
|
Definition at line 40 of file QCParameter.cpp. |
|
Definition at line 69 of file QCParameter.hpp. |
|
Reimplemented in QCMndoParam. Definition at line 87 of file QCParameter.hpp. |
|
Definition at line 51 of file QCParameter.hpp. References atomicNbZ. Referenced by operator<<(). |
|
Definition at line 52 of file QCParameter.hpp. References coreCharge. Referenced by operator<<(). |
|
Accessors Definition at line 48 of file QCParameter.hpp. References identifier. Referenced by operator<<(). |
|
Definition at line 75 of file QCParameter.hpp. References mass. Referenced by operator<<(). |
|
Definition at line 49 of file QCParameter.hpp. References nbAO. Referenced by operator<<(). |
|
Definition at line 53 of file QCParameter.hpp. References coreCharge. |
|
Definition at line 50 of file QCParameter.hpp. References quantumNumberN. Referenced by operator<<(). |
|
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: ![]() |
|
Definition at line 73 of file QCParameter.cpp. |
|
Definition at line 132 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 106 of file QCParameter.hpp. Referenced by getAtomicNbZ(), and readSetOfParameters(). |
|
Definition at line 133 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 110 of file QCParameter.hpp. Referenced by getCoreCharge(), getNbValenceElec(), and readSetOfParameters(). |
|
Definition at line 130 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 87 of file QCParameter.hpp. Referenced by getIdentifier(), and readSetOfParameters(). |
|
Definition at line 131 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 118 of file QCParameter.hpp. Referenced by getMass(), and readSetOfParameters(). |
|
Definition at line 134 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 114 of file QCParameter.hpp. Referenced by getNbAO(), and readSetOfParameters(). |
|
Definition at line 135 of file QCParameter.hpp. Referenced by readSetOfParameters(). |
|
Definition at line 122 of file QCParameter.hpp. Referenced by getQuantumNumberN(), and readSetOfParameters(). |