Package org.openscience.cdk

Class Element

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.Element

All Implemented Interfaces:

Serializable, Cloneable, ICDKObject, IChemObject, IElement

Direct Known Subclasses:

Isotope

public class Element
extends ChemObject
implements Serializable, IElement, Cloneable

Implements the idea of an element in the periodic table.

Use the IsotopeFactory to get a ready-to-use elements by symbol or atomic number:

   IsotopeFactory if = IsotopeFactory.getInstance(new Element().getNewBuilder());
   Element e1 = if.getElement("C");
   Element e2 = if.getElement(12);
 

See Also:

• org.openscience.cdk.config.XMLIsotopeFactory
• Serialized Form

Keywords:

element

Field Summary

Fields

Modifier and Type	Field	Description
protected Integer	atomicNumber	The atomic number for this element giving their position in the periodic table.

Fields inherited from interface org.openscience.cdk.interfaces.IChemObject

ALIPHATIC, AROMATIC, CONJUGATED, HYDROGEN_BOND_ACCEPTOR, HYDROGEN_BOND_DONOR, IN_RING, MAPPED, MARKUSH, NOT_IN_RING, PLACED, REACTIVE_CENTER, SINGLE_OR_DOUBLE, TYPEABLE, VISITED

Fields inherited from interface org.openscience.cdk.interfaces.IElement

Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Mc, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Nh, Ni, No, Np, O, Og, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, Ts, U, V, W, Wildcard, Xe, Y, Yb, Zn, Zr

Constructor Summary

Constructors

Constructor	Description
Element()	Constructs an empty Element.
Element(String symbol)	Constructs an Element with a given element symbol.
Element(String symbol, Integer atomicNumber)	Constructs an Element with a given element symbol, atomic number and atomic mass.
Element(IElement element)	Constructs an empty by copying the symbol, atomic number, flags, and identifier from the given IElement.

Method Summary

Modifier and Type	Method	Description
Object	clone()	Clones this IChemObject.
boolean	compare(Object object)	Compares an Element with this Element.
Integer	getAtomicNumber()	Returns the atomic number of this element.
String	getSymbol()	Returns the element symbol of this element.
void	setAtomicNumber(Integer atomicNumber)	Sets the atomic number of this element.
void	setSymbol(String symbol)	Sets the element symbol of this element.
String	toString()

Methods inherited from class org.openscience.cdk.ChemObject

addListener, addProperties, clear, flags, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy

Methods inherited from class java.lang.Object

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

Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject

getBuilder

Methods inherited from interface org.openscience.cdk.interfaces.IChemObject

addListener, addProperties, clear, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty

Field Details

atomicNumber

protected Integer atomicNumber

The atomic number for this element giving their position in the periodic table.

Constructor Details

Element

public Element()

Constructs an empty Element.

Element

public Element(IElement element)

Constructs an empty by copying the symbol, atomic number, flags, and identifier from the given IElement. It does not copy the listeners and properties.

Parameters:

element - IElement to copy information from

Element

public Element(String symbol)

Constructs an Element with a given element symbol.

Parameters:

symbol - The element symbol that this element should have.

Element

public Element(String symbol,
 Integer atomicNumber)

Constructs an Element with a given element symbol, atomic number and atomic mass.

Parameters:

symbol - The element symbol of this element.

atomicNumber - The atomicNumber of this element.

Method Details

getAtomicNumber

public Integer getAtomicNumber()

Returns the atomic number of this element.

Once instantiated all field not filled by passing parameters to the constructor are null. Elements can be configured by using the IsotopeFactory.configure() method:

   Element element = new Element("C");
   IsotopeFactory if = IsotopeFactory.getInstance(element.getNewBuilder());
   if.configure(element);
 

Specified by:

getAtomicNumber in interface IElement

Returns:

The atomic number of this element

See Also:

• setAtomicNumber(java.lang.Integer)

setAtomicNumber

public void setAtomicNumber(Integer atomicNumber)

Sets the atomic number of this element.

Specified by:

setAtomicNumber in interface IElement

Parameters:

atomicNumber - The atomic mass to be assigned to this element

See Also:

• getAtomicNumber()

getSymbol

public String getSymbol()

Returns the element symbol of this element.

Specified by:

getSymbol in interface IElement

Returns:

The element symbol of this element. Null if unset.

See Also:

• setSymbol(java.lang.String)

setSymbol

public void setSymbol(String symbol)

Sets the element symbol of this element.

Specified by:

setSymbol in interface IElement

Parameters:

symbol - The element symbol to be assigned to this atom

See Also:

• getSymbol()

toString

public String toString()

Specified by:

toString in interface IChemObject

Overrides:

toString in class Object

clone

public Object clone()
             throws CloneNotSupportedException

Description copied from class: ChemObject

Clones this IChemObject. It clones the identifier, flags, properties and pointer vectors. The ChemObjectListeners are not cloned, and neither is the content of the pointer vectors.

Specified by:

clone in interface IChemObject

Overrides:

clone in class ChemObject

Returns:

The cloned object

Throws:

CloneNotSupportedException

compare

public boolean compare(Object object)

Compares an Element with this Element.

Overrides:

compare in class ChemObject

Parameters:

object - Object of type AtomType

Returns:

true if the atom types are equal