com.hfg.chem

Class Atom

java.lang.Object

com.hfg.chem.Atom

All Implemented Interfaces:

Comparable

public class Atom
extends Object
implements Comparable

Represents an atom - an element plus coordinates.

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	Atom.ChiralityOrder

Constructor Summary

Constructors

Constructor and Description
Atom(Element inElement)

Method Summary

Modifier and Type	Method and Description
Atom	addBond(CovalentBond inValue)
int	compareTo(Object inObj)
boolean	equals(Object inObj)
Integer	getAtomClass()
List<CovalentBond>	getBonds()
Integer	getCharge()
Atom.ChiralityOrder	getChiralityOrder()
Element	getElement()
Integer	getHCount()
Integer	getImplicitHCount()
Float	getXCoordinate()
Float	getYCoordinate()
Float	getZCoordinate()
int	hashCode()
boolean	isAromatic()
boolean	removeBond(CovalentBond inValue)
Atom	setAtomClass(Integer inValue)
Atom	setCharge(Integer inValue)
Atom	setChiralityOrder(Atom.ChiralityOrder inValue)
Atom	setHCount(Integer inValue)
Atom	setImplicitHCount(Integer inValue)
Atom	setIsAromatic(boolean inValue)
Atom	setXCoordinate(Float inValue)
Atom	setYCoordinate(Float inValue)
Atom	setZCoordinate(Float inValue)
String	toString()

Methods inherited from class java.lang.Object

clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Detail

Atom

public Atom(Element inElement)

Method Detail

toString

public String toString()

Overrides:

toString in class Object

hashCode

public int hashCode()

Overrides:

hashCode in class Object

equals

public boolean equals(Object inObj)

Overrides:

equals in class Object

compareTo

public int compareTo(Object inObj)

Specified by:

compareTo in interface Comparable

getElement

public Element getElement()

getXCoordinate

public Float getXCoordinate()

setXCoordinate

public Atom setXCoordinate(Float inValue)

getYCoordinate

public Float getYCoordinate()

setYCoordinate

public Atom setYCoordinate(Float inValue)

getZCoordinate

public Float getZCoordinate()

setZCoordinate

public Atom setZCoordinate(Float inValue)

getCharge

public Integer getCharge()

setCharge

public Atom setCharge(Integer inValue)

addBond

public Atom addBond(CovalentBond inValue)

removeBond

public boolean removeBond(CovalentBond inValue)

getBonds

public List<CovalentBond> getBonds()

getChiralityOrder

public Atom.ChiralityOrder getChiralityOrder()

setChiralityOrder

public Atom setChiralityOrder(Atom.ChiralityOrder inValue)

getAtomClass

public Integer getAtomClass()

setAtomClass

public Atom setAtomClass(Integer inValue)

setIsAromatic

public Atom setIsAromatic(boolean inValue)

isAromatic

public boolean isAromatic()

setHCount

public Atom setHCount(Integer inValue)

getHCount

public Integer getHCount()

setImplicitHCount

public Atom setImplicitHCount(Integer inValue)

getImplicitHCount

public Integer getImplicitHCount()