org.jscience.chemistry
Class Atom

java.lang.Object
  org.jscience.chemistry.Atom

public class Atom
extends java.lang.Object

A class representing atoms.

Constructor Summary

Atom(Element e)
Constructs an atom, using default isotope.

Atom(Element e, int isotope)

Method Summary

void	addBond(Bond b)
void	addElectron()
Atom	breakBond(Bond b)
Atom	breakFullBond(Bond b)
double	computeExactMass()
double	computeMeanMass()
java.util.Set	getAllNeighbors()
java.util.Set	getBonds()
Element	getCorrespondingElement()
int	getExcessElectrons()
Molecule	getMolecule()
java.util.Set	getNeighbors()
int	getNumElectrons()
boolean	isAtomic()
boolean	isInMolecule()
boolean	isIon()
Molecule	promoteAtom() public boolean isMolecule() { Iterator iterator; boolean found; //check that there is no unbounded atom iterator = getAllNeighbors().iterator(); found = false; while (iterator.hasNext() && !
void	removeElectron()
void	setCharge(int value)
protected void	setMolecule(Molecule molecule)

Methods inherited from class java.lang.Object

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

Constructor Detail

Atom

public Atom(Element e)

Constructs an atom, using default isotope.

Atom

public Atom(Element e,
            int isotope)

Method Detail

getCorrespondingElement

public Element getCorrespondingElement()

computeExactMass

public double computeExactMass()

computeMeanMass

public double computeMeanMass()

getExcessElectrons

public int getExcessElectrons()

getNumElectrons

public int getNumElectrons()

isIon

public boolean isIon()

addElectron

public void addElectron()

removeElectron

public void removeElectron()

isAtomic

public boolean isAtomic()

setCharge

public void setCharge(int value)

getBonds

public java.util.Set getBonds()

addBond

public void addBond(Bond b)

breakBond

public Atom breakBond(Bond b)

breakFullBond

public Atom breakFullBond(Bond b)

getNeighbors

public java.util.Set getNeighbors()

getAllNeighbors

public java.util.Set getAllNeighbors()

isInMolecule

public boolean isInMolecule()

getMolecule

public Molecule getMolecule()

setMolecule

protected void setMolecule(Molecule molecule)

promoteAtom

public Molecule promoteAtom()

public boolean isMolecule() {

Iterator iterator; boolean found;

//check that there is no unbounded atom iterator = getAllNeighbors().iterator(); found = false; while (iterator.hasNext() && !found) { found = ((Atom)iterator.next()).hasFreeElectrons(); }

return !found;

}