magpie.data.utilities.generators

Class CompositionRangeEntryGenerator

java.lang.Object

magpie.data.utilities.generators.BaseEntryGenerator

magpie.data.utilities.generators.CompositionRangeEntryGenerator

All Implemented Interfaces:

java.lang.Iterable<BaseEntry>, Options

public class CompositionRangeEntryGenerator
extends BaseEntryGenerator

Create compositions in a rectangular, user-specified grid. User should specify the base element along with the minimum, maximum, and step size for each element to be added. It is also possible to define the minimum and maximum amount of a base element

Example: Al with 0-10at% Ni and 0-10at% Zr in step sizes of 0.2at%

Usage: <base> [-min <min base fraction>] [-max <max base fraction>] -alloy <alloy elem> <alloy min> <alloy max> <alloy step> [<...>]
base: Symbol of base element
min base fraction: Optional: Minimum fraction of base element
max base fraction: Optional: Maximum fraction of base element
alloy elem: Symbol of alloying element
alloy elem: Minimum fraction of alloying element
alloy elem: Maximum fraction of alloying element
alloy elem: Step size of alloying element User can supply any number of alloying elements

Field Summary

Fields

Modifier and Type	Field and Description
protected int	BaseElement ID of base element
protected double	MaxBaseElement Set maximum amount of base element
protected java.util.SortedMap<java.lang.Integer,java.lang.Double>	MaxFraction Maximum fraction of certain element.
protected double	MinBaseElement Set minimum amount of base element
protected java.util.SortedMap<java.lang.Integer,java.lang.Double>	MinFraction Minimum fraction of certain element.
protected java.util.SortedMap<java.lang.Integer,java.lang.Double>	StepFraction Fraction step size of certain element.

Constructor Summary

Constructors

Constructor and Description
CompositionRangeEntryGenerator()

Method Summary

Modifier and Type	Method and Description
void	addAlloyElement(int id, double min, double max, double step) Add alloying element
void	addAlloyElement(java.lang.String elem, double min, double max, double step) Add alloying element
void	clearAlloyingElements() Clear the list of elements to be added
protected CompositionEntry	getNextComposition(java.util.Iterator<java.util.List<java.lang.Double>> alloyIter) Get the next alloy composition in the sequence.
java.util.Iterator<BaseEntry>	iterator()
java.lang.String	printUsage() Print out required format for options.
void	setBaseElement(int id, double min, double max) Set the base element.
void	setBaseElement(java.lang.String elem, double min, double max) Set the base element.
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

BaseElement

protected int BaseElement

ID of base element

MinBaseElement

protected double MinBaseElement

Set minimum amount of base element

MaxBaseElement

protected double MaxBaseElement

Set maximum amount of base element

MinFraction

protected final java.util.SortedMap<java.lang.Integer,java.lang.Double> MinFraction

Minimum fraction of certain element.

MaxFraction

protected final java.util.SortedMap<java.lang.Integer,java.lang.Double> MaxFraction

Maximum fraction of certain element.

StepFraction

protected final java.util.SortedMap<java.lang.Integer,java.lang.Double> StepFraction

Fraction step size of certain element.

Constructor Detail

CompositionRangeEntryGenerator

public CompositionRangeEntryGenerator()

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

setBaseElement

public void setBaseElement(int id,
                           double min,
                           double max)

Set the base element. ID is the atomic number minus one.

Parameters:

id - ID of desired base element

min - Minimum allowed value of base element. Use NaN for no limit

max - Maximum allowed value of base element. Use NaN for no limit

setBaseElement

public void setBaseElement(java.lang.String elem,
                           double min,
                           double max)

Set the base element.

Parameters:

elem - Symbol of the desired base element

min - Minimum allowed value of base element. Use NaN for no limit

max - Maximum allowed value of base element. Use NaN for no limit

clearAlloyingElements

public void clearAlloyingElements()

Clear the list of elements to be added

addAlloyElement

public void addAlloyElement(int id,
                            double min,
                            double max,
                            double step)

Add alloying element

Parameters:

id - ID of element

min - Minimum fraction of element

max - Maximum fraction of element

step - Desired step size

addAlloyElement

public void addAlloyElement(java.lang.String elem,
                            double min,
                            double max,
                            double step)

Add alloying element

Parameters:

elem - Symbol of element

min - Minimum fraction of element

max - Maximum fraction of element

step - Desired step size

iterator

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

getNextComposition

protected CompositionEntry getNextComposition(java.util.Iterator<java.util.List<java.lang.Double>> alloyIter)

Get the next alloy composition in the sequence. Alloy must have positive fractions of each element, and a base element fraction within specified ranges.

Parameters:

alloyIter - Iterator of alloy compositions. Created in iterator()

Returns:

Next alloy composition, or null if there is no next one