org.jscience.chemistry.quantum.basis
Class AtomicBasis

java.lang.Object
  org.jscience.chemistry.quantum.basis.AtomicBasis

public class AtomicBasis
extends java.lang.Object

Represents a single entity in a BasisSet

Constructor Summary

AtomicBasis(java.lang.String symbol, int atomicNumber)
Creates a new instance of AtomicBasis

Method Summary

void	addOrbital(Orbital orbital) Add an orbital object to this atomic basis
int	getAtomicNumber() Getter for property atomicNumber.
java.util.ArrayList	getOrbitals() Getter for property orbitals.
java.lang.String	getSymbol() Getter for property symbol.
void	setAtomicNumber(int atomicNumber) Setter for property atomicNumber.
void	setOrbitals(java.util.ArrayList orbitals) Setter for property orbitals.
void	setSymbol(java.lang.String symbol) Setter for property symbol.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

AtomicBasis

public AtomicBasis(java.lang.String symbol,
                   int atomicNumber)

Creates a new instance of AtomicBasis

Parameters:

symbol - the atomic symbol, of whose this is basis

atomicNumber - its atomic number

Method Detail

getSymbol

public java.lang.String getSymbol()

Getter for property symbol.

Returns:

Value of property symbol.

setSymbol

public void setSymbol(java.lang.String symbol)

Setter for property symbol.

Parameters:

symbol - New value of property symbol.

getAtomicNumber

public int getAtomicNumber()

Getter for property atomicNumber.

Returns:

Value of property atomicNumber.

setAtomicNumber

public void setAtomicNumber(int atomicNumber)

Setter for property atomicNumber.

Parameters:

atomicNumber - New value of property atomicNumber.

getOrbitals

public java.util.ArrayList getOrbitals()

Getter for property orbitals.

Returns:

Value of property orbitals.

setOrbitals

public void setOrbitals(java.util.ArrayList orbitals)

Setter for property orbitals.

Parameters:

orbitals - New value of property orbitals.

addOrbital

public void addOrbital(Orbital orbital)

Add an orbital object to this atomic basis

Parameters:

orbital - the Orbital object to be added to this atomic basis