magpie.data.utilities.generators

Class AlloyingCompositionEntryGenerator

java.lang.Object

magpie.data.utilities.generators.BaseEntryGenerator

magpie.data.utilities.generators.AlloyingCompositionEntryGenerator

All Implemented Interfaces:

java.lang.Iterable<BaseEntry>, Options

public class AlloyingCompositionEntryGenerator
extends BaseEntryGenerator

Generate entries by adding alloying elements into a set composition. Incrementally adds more of certain elements into alloy. New compositions are computed by ([old composition])_1-x[new element]_x where x is the fraction of element added to alloy.

Usage: <base composition> <max addition> <step size> <elements...>
base composition: Base composition to be alloyed into
max addition: Maximum fraction of element to add
step size: Step size between alloying elements
elements: Elements to add in

Field Summary

Fields

Modifier and Type	Field and Description
protected java.util.Set<java.lang.Integer>	AlloyingElements Set of elements to add into alloy
protected double	AlloyStep Step size.
protected int[]	Elements Elements of composition to be added to
protected double[]	Fractions Fractions of each element of composition to be added to
protected double	MaxAlloying Maximum amount to add.

Constructor Summary

Constructors

Constructor and Description
AlloyingCompositionEntryGenerator()

Method Summary

Modifier and Type	Method and Description
void	addAlloyingElement(java.lang.String element) Add element to list of potential alloying elements
void	addAlloyingElements(java.util.Collection<java.lang.String> elements) Add elements to list of potential alloying elements
void	clearElements() Clear the list of alloying elements
java.util.Iterator<BaseEntry>	iterator()
java.lang.String	printUsage() Print out required format for options.
void	setAlloyStep(double step) Set the step size
void	setComposition(CompositionEntry composition) Set starting composition for alloys
void	setMaxAlloying(double max) Set the maximum amount of element to add.
void	setOptions(java.util.List<java.lang.Object> Options) Set any options for this object.

Methods inherited from class magpie.data.utilities.generators.BaseEntryGenerator

addEntriesToDataset, generateEntries, train

Methods inherited from class java.lang.Object

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

Methods inherited from interface java.lang.Iterable

forEach, spliterator

Field Detail

Elements

protected int[] Elements

Elements of composition to be added to

Fractions

protected double[] Fractions

Fractions of each element of composition to be added to

MaxAlloying

protected double MaxAlloying

Maximum amount to add. Default 10%

AlloyStep

protected double AlloyStep

Step size. Default = 1%

AlloyingElements

protected final java.util.Set<java.lang.Integer> AlloyingElements

Set of elements to add into alloy

Constructor Detail

AlloyingCompositionEntryGenerator

public AlloyingCompositionEntryGenerator()

Method Detail

setOptions

public void setOptions(java.util.List<java.lang.Object> Options)
                throws java.lang.Exception

Description copied from interface: Options

Set any options for this object. If parsing the options fails, return an Exception with the usage as its message.

Parameters:

Options - Array of options as Objects - can be null

Throws:

java.lang.Exception - if problem with inputs

printUsage

public java.lang.String printUsage()

Description copied from interface: Options

Print out required format for options. For consistency, should start with "Usage: ".

Returns:

Usage for this function

setComposition

public void setComposition(CompositionEntry composition)

Set starting composition for alloys

Parameters:

composition - Desired composition

setMaxAlloying

public void setMaxAlloying(double max)

Set the maximum amount of element to add.

Parameters:

max - Maximum fraction (should be less than 1)

setAlloyStep

public void setAlloyStep(double step)

Set the step size

Parameters:

step - Spacing between alloy, in fractional units

clearElements

public void clearElements()

Clear the list of alloying elements

addAlloyingElement

public void addAlloyingElement(java.lang.String element)

Add element to list of potential alloying elements

Parameters:

element - Symbol (ex: Au) of element to be added

addAlloyingElements

public void addAlloyingElements(java.util.Collection<java.lang.String> elements)

Add elements to list of potential alloying elements

Parameters:

elements - Symbols (ex: Au) of elements to be added

iterator

public java.util.Iterator<BaseEntry> iterator()