Package _global.tri.oxidationstates.ion

Class IonFactory.IonType

java.lang.Object

_global.tri.oxidationstates.ion.IonFactory.IonType

Enclosing class:

IonFactory

public static class IonFactory.IonType
extends Object

This class represents an ion type, which is an atom (or cluster of atoms) that can be assigned an oxidation state.

Method Summary

Modifier and Type	Method	Description
double	getAtomicWeight()	Returns the atomic weight for this ion type.
int[]	getCounts()	Returns the counts of each element in this ion type, in the same order as the array returned by getElements().
matsci.Element[]	getElements()	Returns the distinct elements in this ion type
IonFactory.Ion	getIon(double oxidationState)	Returns the ion of this type with the given oxidation state.
Map<String,IonFactory.Ion>	getKnownIons()	Return a map in which the keys are ion symbols and the values are the known ions of this type.
String	getSymbol()	Return the symbol for this ion type.
boolean	isElement()	Returns true if this ion type is an element, and false if otherwise (e.g.
int	numPeriodicDimensions()	Some ions are crystalline.

Methods inherited from class java.lang.Object

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

Method Details

getKnownIons

public Map<String,IonFactory.Ion> getKnownIons()

Return a map in which the keys are ion symbols and the values are the known ions of this type.

Returns:

a map in which the keys are ion symbols and the values are the known ions of this type.

getElements

public matsci.Element[] getElements()

Returns the distinct elements in this ion type

Returns:

the distinct elements in this ion type

getCounts

public int[] getCounts()

Returns the counts of each element in this ion type, in the same order as the array returned by getElements().

Returns:

the counts of each element in this ion type, in the same order as the array returned by getElements().

isElement

public boolean isElement()

Returns true if this ion type is an element, and false if otherwise (e.g. for polyatomic ion types).

Returns:

true if this ion type is an element, and false if otherwise (e.g. for polyatomic ion types).

getSymbol

public String getSymbol()

Return the symbol for this ion type. It should be unique.

Returns:

the symbol for this ion type. It should be unique.

numPeriodicDimensions

public int numPeriodicDimensions()

Some ions are crystalline. This method returns the number of periodic vectors in the Bravais lattice for this ion type.

Returns:

the number of periodic vectors in the Bravais lattice for this ion type.

getAtomicWeight

public double getAtomicWeight()

Returns the atomic weight for this ion type. All returned values are per unit cell for periodic ions

Returns:

the atomic weight for this ion type. All returned values are per unit cell for periodic ions

getIon

public IonFactory.Ion getIon(double oxidationState)

Returns the ion of this type with the given oxidation state. Returns an existing object if one exists, or creates (and stores) a new ion object if one does not. This ensures that there is one global object for each ion.

Parameters:

oxidationState - The given oxidation state.

Returns:

the ion of this type with the given oxidation state. Returns an existing object if one exists, or creates (and stores) a new ion object if one does not. This ensures that there is one global object for each ion.