cct.modelling
Class ChemicalElements

java.lang.Object
  extended by 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)