magpie.data.utilities.generators

Class FixedStoichiometryCompositionEntryGenerator

java.lang.Object

magpie.data.utilities.generators.BaseEntryGenerator

magpie.data.utilities.generators.FixedStoichiometryCompositionEntryGenerator

All Implemented Interfaces:

java.lang.Iterable<BaseEntry>, Options

public class FixedStoichiometryCompositionEntryGenerator
extends BaseEntryGenerator

Generate compositions with a fixed stoichiometry. For example, use this code to generate all AB compounds.

Creates entries by computing unique combinations of elements in certain, user-defined ratios.

Usage: <stoichiometries...> -elems <elements...>
stiochiometries: List of stoichiometries to generate (e.g., AB)
elements: List of elements use when creating entries

Field Summary

Fields

Modifier and Type	Field and Description
protected java.util.Set<java.lang.Integer>	Elements Set of elements to use when generating entries
protected java.util.List<double[]>	Stiochiometries List of stiochiometries.

Constructor Summary

Constructors

Constructor and Description
FixedStoichiometryCompositionEntryGenerator()

Method Summary

Modifier and Type	Method and Description
void	addElement(java.lang.String elem) Add an element to the list of those used when generating entries
void	addStoichiometry(java.lang.String stoich) Add a stoichiometry to the list of those to generate
void	clearElements() Clear the list of currently-defined elements
void	clearStoichiometries() Clear the list of currently-defined stoichiometries
java.util.Set<java.lang.String>	getElements() Get set of elements used in generation
java.util.List<double[]>	getStiochiometries() Get the current list of stoichiometries
java.util.Iterator<BaseEntry>	iterator()
java.lang.String	printUsage() Print out required format for options.
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

Stiochiometries

protected java.util.List<double[]> Stiochiometries

List of stiochiometries. Stored as ratio list.

Elements

protected java.util.Set<java.lang.Integer> Elements

Set of elements to use when generating entries

Constructor Detail

FixedStoichiometryCompositionEntryGenerator

public FixedStoichiometryCompositionEntryGenerator()

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

clearStoichiometries

public void clearStoichiometries()

Clear the list of currently-defined stoichiometries

clearElements

public void clearElements()

Clear the list of currently-defined elements

addElement

public void addElement(java.lang.String elem)

Add an element to the list of those used when generating entries

Parameters:

elem - Element to add

addStoichiometry

public void addStoichiometry(java.lang.String stoich)

Add a stoichiometry to the list of those to generate

Simply list the stoichiometry using example element names. Examples include NiZr, AB, or A2BC

Parameters:

stoich - Stoichiometry to add

getStiochiometries

public java.util.List<double[]> getStiochiometries()

Get the current list of stoichiometries

Returns:

List of stoichiometries

getElements

public java.util.Set<java.lang.String> getElements()

Get set of elements used in generation

Returns:

Set of elements by abbreviation

iterator

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