magpie.csp.diagramdata

Class OnTheFlyPhaseDiagramStatistics

java.lang.Object

magpie.csp.diagramdata.PhaseDiagramStatistics

magpie.csp.diagramdata.OnTheFlyPhaseDiagramStatistics

All Implemented Interfaces:

java.io.Serializable

public class OnTheFlyPhaseDiagramStatistics
extends PhaseDiagramStatistics

Calculate phase diagrams as requested. Stores a list of known compounds in such a way that pertinent compounds can be retrieved quickly.

See Also:

Serialized Form

Field Summary

Fields inherited from class magpie.csp.diagramdata.PhaseDiagramStatistics

CommonCompositions, CompositionComparator, ElementProbability, MinDistance, NComponents, NCompounds, StructureProbability

Constructor Summary

Constructors

Constructor and Description
OnTheFlyPhaseDiagramStatistics()

Method Summary

Modifier and Type	Method and Description
protected void	calculateStructureProbabilities() Calculate the probability of each prototype appearing in a phase diagram.
protected int	getCompositionIndex(double[] fracs) Look up a composition in PhaseDiagramStatistics.CommonCompositions.
protected int[]	getCompoundVector(int[] sites) Given a list of elements on each site of a structure, determine which prototypes exist on each site of the corresponding phase diagram.
protected boolean	incrementCounter(int[] counter) Increment a counter that iterates through all combinations of elements in a phase diagram.
protected void	processCompounds(java.util.Map<CompositionEntry,java.lang.String> compounds) Given a list of compounds, mark which phase diagrams they appear in.

Methods inherited from class magpie.csp.diagramdata.PhaseDiagramStatistics

addCompositionBin, calculateProbabilities, compositionsAreEqual, createLookupKey, evaluateProbability, getClosestBin, getCommonCompositions, getCumulants, getPrototypeNames, getVariableVector, importCompoundDataset, importKnownCompounds, importKnownCompounds, NComponents, NCompositions, NCompounds, orderComposition, printCumulants, roundComposition

Methods inherited from class java.lang.Object

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

Constructor Detail

OnTheFlyPhaseDiagramStatistics

public OnTheFlyPhaseDiagramStatistics()

Method Detail

processCompounds

protected void processCompounds(java.util.Map<CompositionEntry,java.lang.String> compounds)

Description copied from class: PhaseDiagramStatistics

Given a list of compounds, mark which phase diagrams they appear in. Also, keep a list of the names of prototype compounds that appear

Specified by:

processCompounds in class PhaseDiagramStatistics

Parameters:

compounds - Map of phase diagrams to be added

getCompoundVector

protected int[] getCompoundVector(int[] sites)

Description copied from class: PhaseDiagramStatistics

Given a list of elements on each site of a structure, determine which prototypes exist on each site of the corresponding phase diagram.

Specified by:

getCompoundVector in class PhaseDiagramStatistics

Parameters:

sites - Which elements are on each site

Returns:

x[i] is the index of the prototype structure of the compound existing at composition i in PhaseDiagramStatistics.CommonCompositions (0 for no compound)

getCompositionIndex

protected int getCompositionIndex(double[] fracs)

Look up a composition in PhaseDiagramStatistics.CommonCompositions.
WARNING: Only use this if fracs is exactly (or real close) to an entry. Will NOT find the composition that is closest to the supplied composition.

Parameters:

fracs - Composition to look up

Returns:

Index of composition in PhaseDiagramStatistics.CommonCompositions

calculateStructureProbabilities

protected void calculateStructureProbabilities()

Description copied from class: PhaseDiagramStatistics

Calculate the probability of each prototype appearing in a phase diagram.

Specified by:

calculateStructureProbabilities in class PhaseDiagramStatistics

incrementCounter

protected boolean incrementCounter(int[] counter)

Increment a counter that iterates through all combinations of elements in a phase diagram.
For a ternary system, it goes A->B->C for unary, AB->AC->BC for binary, ABC for ternary
For a quaternary, it goes A->B->C for unary, AB->AC->AD->BC->BD->CD for binary, and so on...

Parameters:

counter - Counter to be incremented

Returns:

Whether it iterator is done