cct.modelling
Class ChemicalElements

java.lang.Object
  cct.modelling.ChemicalElements

Direct Known Subclasses:

ChemicalElementsColors

public class ChemicalElements
extends java.lang.Object

Title: ChemicalElements

Description:

Copyright: Copyright (c) 2006

Company: ANU

Field Summary

(package private) static float[]	atomicWeight
(package private) static float[]	covalentRadii
(package private) static java.lang.String[]	elementName
(package private) static java.lang.String[]	elementSymbol
(package private) static int	numberOfElements
(package private) static float[]	uffD
(package private) static float[]	uffVDWRadii
(package private) static float[]	vanderwaalsRadii

Constructor Summary

ChemicalElements()

Method Summary

static int	checkAtomicSymbol(java.lang.String elem)
static java.lang.String[]	getAllElements()
static int	getAtomicNumber(java.lang.String elem)
static float	getAtomicWeight(int element)
static float	getAtomicWeight(java.lang.String elem)
static float	getCovalentRadius(int elem)
static float	getCovalentRadius(java.lang.String elem)
static java.lang.String	getElementName(int element)
static java.lang.String	getElementSymbol(int element)
static int	getNumberOfElements()
static float	getUFFDistance(int elem)
static float	getUFFWellDepth(int elem)
static float	getVanDerWaalsRadius(int elem) Returns van-der-Waals radius of element (from Bondi, J.Phys.Chem., 68, 441, 1964)
static float	getVanDerWaalsRadius(java.lang.String elem) Returns van-der-Waals radius of element (from Bondi, J.Phys.Chem., 68, 441, 1964)
static float	getVDWWellDepth(java.lang.String elem)
static float	guessCovalentBondLength(int elem1, int elem2)

Methods inherited from class java.lang.Object

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

Field Detail

numberOfElements

static final int numberOfElements

See Also:

Constant Field Values

elementSymbol

static final java.lang.String[] elementSymbol

elementName

static final java.lang.String[] elementName

covalentRadii

static final float[] covalentRadii

atomicWeight

static final float[] atomicWeight

vanderwaalsRadii

static final float[] vanderwaalsRadii

uffVDWRadii

static final float[] uffVDWRadii

uffD

static final float[] uffD

Constructor Detail

ChemicalElements

public ChemicalElements()

Method Detail

getAtomicNumber

public static int getAtomicNumber(java.lang.String elem)

checkAtomicSymbol

public static int checkAtomicSymbol(java.lang.String elem)
                             throws java.lang.IllegalArgumentException

Throws:

java.lang.IllegalArgumentException

getAtomicWeight

public static float getAtomicWeight(java.lang.String elem)

Parameters:

elem - String

Returns:

float

getAtomicWeight

public static float getAtomicWeight(int element)

Parameters:

element - int

Returns:

float

getElementSymbol

public static java.lang.String getElementSymbol(int element)

getElementName

public static java.lang.String getElementName(int element)

getCovalentRadius

public static float getCovalentRadius(int elem)

getVanDerWaalsRadius

public static float getVanDerWaalsRadius(int elem)

Returns van-der-Waals radius of element (from Bondi, J.Phys.Chem., 68, 441, 1964)

Parameters:

elem - int

Returns:

float

getCovalentRadius

public static float getCovalentRadius(java.lang.String elem)

getVanDerWaalsRadius

public static float getVanDerWaalsRadius(java.lang.String elem)

Returns van-der-Waals radius of element (from Bondi, J.Phys.Chem., 68, 441, 1964)

Parameters:

elem - String

Returns:

float

getVDWWellDepth

public static float getVDWWellDepth(java.lang.String elem)

getUFFWellDepth

public static float getUFFWellDepth(int elem)

getUFFDistance

public static float getUFFDistance(int elem)

getAllElements

public static java.lang.String[] getAllElements()

getNumberOfElements

public static int getNumberOfElements()

guessCovalentBondLength

public static float guessCovalentBondLength(int elem1,
                                            int elem2)