Package _global.tri.oxidationstates.calculator.likelihood

Class LikelihoodStateSet

java.lang.Object

_global.tri.oxidationstates.calculator.OxidationStateSet

_global.tri.oxidationstates.calculator.likelihood.LikelihoodStateSet

All Implemented Interfaces:

Comparable<LikelihoodStateSet>

public class LikelihoodStateSet
extends OxidationStateSet
implements Comparable<LikelihoodStateSet>

An OxidationStateSet that keeps track of properties specific to the likelihood score, such as the likelihood score and electronic chemical potential.

Constructor Summary

Constructors

Constructor	Description
LikelihoodStateSet(IonFactory.Ion[] ions, double[] weights, double maxLikelihood, double optimalFermiLevel)	Initialize the LikelihoodStateSet

Method Summary

Modifier and Type	Method	Description
int	compareTo(LikelihoodStateSet o)
double	getMaxLikelihood()	Returns the likelihood score at the optimal electronic chemical potential
double	getOptimalFermiLevel()	Returns the optimal electronic chemical potential (i.e.

Methods inherited from class _global.tri.oxidationstates.calculator.OxidationStateSet

getIons, getWeight, getWeights, isMixedValence, toString

Methods inherited from class java.lang.Object

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

Constructor Details

LikelihoodStateSet

public LikelihoodStateSet(IonFactory.Ion[] ions,
 double[] weights,
 double maxLikelihood,
 double optimalFermiLevel)

Initialize the LikelihoodStateSet

Parameters:

ions - The ions in this set

weights - The composition of each ion, in the same order as the ions array

maxLikelihood - The likelihood score at the optimal electronic chemical potential

optimalFermiLevel - The optimal electronic chemical potential (i.e. the one that maximizes the likelihood score)

Method Details

getMaxLikelihood

public double getMaxLikelihood()

Returns the likelihood score at the optimal electronic chemical potential

Returns:

the likelihood score at the optimal electronic chemical potential

getOptimalFermiLevel

public double getOptimalFermiLevel()

Returns the optimal electronic chemical potential (i.e. the one that maximizes the likelihood score)

Returns:

the optimal electronic chemical potential (i.e. the one that maximizes the likelihood score)

compareTo

public int compareTo(LikelihoodStateSet o)

Specified by:

compareTo in interface Comparable<LikelihoodStateSet>