Data structures

elematic.ds

Defines the data structure of the MatML 3.1 schema used in elematic.

AssociationDetails

AssociationDetails class represents the content model for association details in a complex material system.

It contains a description of the relationship of a component to another component, such as in composites, welds, or multilayer materials.

Attributes:

Name	Type	Description
associate	str	The name of a component's associate. For example, in a TiC coating on AISI 1018 steel coupons, the associate of the steel is the "titanium carbide coating". Defaults to None.
relationship	str	A description of the relationship between a component and its associate. For example, the relationship of the "steel" component to the "titanium carbide coating" is that the steel is the "substrate" for the coating. Defaults to None.
notes	str	Any additional information concerning the association. Defaults to None.

AuthorityDetails

This class represents the AuthorityDetails element, which contains a description of an authority referenced by other elements, such as the Specification and Name elements. An authority is typically an organization that is the authoritative source of information about the element that is referencing it.

Attributes:

Name	Type	Description
name	Name	The name of the Authority. This attribute is required and must occur once and only once within the AuthorityDetails element.
notes	str	Any additional information concerning the parameter. Defaults to None.
id	str	A unique identifier for the AuthorityDetails element. This attribute is required and must be unique among id attributes assigned elsewhere in a MatML document.

BulkDetails

Describes the bulk material.

Attributes:

Name	Type	Description
name	Name	Contains the material's name and has one optional attribute,
class_value	list[Class]	Contains the material's class.
subclass	list[Class]	Contains the material's subclass(es).
specification	list[Specification]	Contains the material's specification(s).
source	Source	Contains the name of the source of the material.
form	Form	Describes the form of the material.
processing_details	list[ProcessingDetails]	Contains a description of a processing step for the material.
characterization	Characterization	Contains the characterization.
property_data	list[PropertyData]	Contains the property data for the material.
notes	str	Contains any additional information concerning the bulk material.

Characterization

Describes the chemical composition of the bulk material or component.

Attributes:

Name	Type	Description
formula	str	A string representation of the chemical formula for the bulk material or component.
chemical_composition	ChemicalComposition	A description of the compounds and elements that comprise the bulk material or component.
phase_composition	list[PhaseComposition]	A description of the phases that comprise the bulk material or component.
dimensional_details	list[DimensionalDetails]	Information relating to component or bulk precipitate size and distribution, etc.
notes	str	Any additional information concerning the Characterization.

ChemicalComposition

Describes the compounds or elements that comprise the bulk material or component.

Attributes:

Name	Type	Description
compound	list[Compound]	A list of Compound elements. This attribute is mutually exclusive with element.
element	list[Element]	A list of Element elements. This attribute is mutually exclusive with compound.

Warning

Setting either of compound or element to a non-empty list will set the other to an empty list.

ChemicalElementSymbol

Enum which provides the valid strings representing chemical elements, which may be used in the elematic.ds.Element.Symbol element.

Class

The material class to which the Material belongs. The Class can either have a Name or ParentMaterial element.

Attributes:

Name	Type	Description
name	Name	Contains a string representing the name of the material's class. Defaults to None.
parent_material	list[ParentMaterial]	A list of references to parent material. Defaults to an empty list.
parent_sub_class	list[Class]	A list of references to parent sub-class.

ComponentDetails

Contains a description of a component within the bulk material and is used to support encoding of information for complex materials systems such as composites.

Attributes:

Name	Type	Description
name	Name	Contains the component's name.
class_value	list[Class]	Contains the component's material class.
subclass	list[Class]	Contains the component's material subclass(es).
specification	list[Specification]	Contains the component's specification(s).
source	Source	Contains the name of the source of the component.
form	Form	Contains the form of the component.
processing_details	list[ProcessingDetails]	Contains a description of a processing step for the component.
characterization	Characterization	Contains the characterization of the component,
property_data	list[PropertyData]	Contains the property data for the component.
association_details	list[AssociationDetails]	Contains a description of a relationship of the component to another component.
notes	str	Contains any additional information concerning the component.
component_details	list[ComponentDetails]	Contains a description of a component within the component.
id	str	An optional attribute used as an identification specifier for the component.

Compound

The elemental description of a chemical compound.

Attributes:

Name	Type	Description
element	list[Element]	Contains the description of a chemical element.
concentration	Concentration	Contains the concentration of the compound.
notes	str	Contains any additional information concerning the compound.

Concentration

Defines the concentration of a Compound, Element, or PhaseComposition.

Attributes:

Name	Type	Description
value	Value	Contains the value of the concentration.
units	Units	Contains the units for the value of the concentration.
qualifier	list[str]	Contains any qualifier pertinent to the value of the concentration (e.g., "min," "max," etc.).
uncertainty	list[Uncertainty]	Contains the measurement uncertainty(ies) of the data.
notes	None | str	Contains any additional information concerning the concentration and may occur once or not at all within the Concentration element.

CurrencyCode

Enumerates the ISO4217 currency codes.

DataFormat

Enumerates allowable dataformats used by the format attributes of the elematic.ds.Value, elematic.ds.ParameterValue, elematic.ds.ParameterValue.Data, and elematic.ds.PropertyData.Data elements.

Attributes:

Name	Type	Description
FLOAT		float
INTEGER		int
STRING		str
EXPONENTIAL		float
MIXED		str

Notes

MIXED is only used for a group of data where each individual member of the group can be given a unique format.

DataSourceDetails

Describes the form of the bulk material or component.

Attributes:

Name	Type	Description
description	Name	Contains a string representing the description of the bulk material or component's form.
geometry	Geometry	Contains a description of the geometry of the bulk material or component. Defaults to None.
notes	str	Contains any additional information concerning the form. Defaults to None.

DimensionalDetails

Describes a dimensional characteristic (e.g., grain size, porosity, precipitate size and distribution, etc.) of the bulk material or component.

Attributes:

Name	Type	Description
name	Name	Contains the name of the characteristic.
value	Value	Contains the value of the dimensional characteristic.
units	Units	Contains the units for the value of the dimensional characteristic.
qualifier	Optional[str]	Contains any qualifier pertinent to the value of the dimensional characteristic (e.g., "min," "max," etc.).
uncertainty	List[Uncertainty]	Contains the measurement uncertainty(ies) of the data.
notes	Optional[str]	Contains any additional information concerning the dimensional DimensionalDetails element.

Element

Represents a chemical element with its symbol, concentration, and notes. symbol (Element.Symbol): Symbol of the chemical element. It must be one of the strings enumerated by the ChemicalElementSymbol datatype. concentration (Concentration, optional): Concentration of the element. notes (str, optional): Additional information concerning the element.

Symbol

Symbol of the chemical element. It must be one of the strings enumerated by the ChemicalElementSymbol datatype.

Attributes:

Name	Type	Description
value	ChemicalElementSymbol	The symbol of the chemical element.
subscript	str	The subscript of the element, default is "1".

Form

Describes the form of the bulk material or component.

Attributes:

Name	Type	Description
description	Name	Contains a string representing the description of the bulk material or component's form.
geometry	Geometry	Contains a description of the geometry of the bulk material or component. Defaults to None.
notes	str	Contains any additional information concerning the form. Defaults to None.

Geometry

Descibes the geometry of the bulk material, component, or specimen.

Attributes:

Name	Type	Description
shape	str	A string describing the shape of the bulk material or component.
dimensions	str	A string describing the dimensions of the bulk material or component. Defaults to None.
orientation	str	A string describing the orientation of the bulk material or component. Defaults to None.
notes	str	Contains any additional information concerning the geometry. Defaults to None.

Glossary

Contains one or more elematic.ds.GlossaryTerm elements.

Attributes:

Name	Type	Description
term	list[GlossaryTerm]	Contains one or more elematic.ds.GlossaryTerm.

GlossaryTerm

Provides the definition of a term in the glossary.

Attributes:

Name	Type	Description
name	Name	Contains the name of the term.
definition	str	Contains the definition of the term.
abbreviation	list[str]	Contains any abbreviations for the term. Defaults to an empty list.
synonym	list[str]	Contains any synonyms for the term. Defaults to an empty list.
notes	str	Any additional information concerning the term. Defaults to None.

Graphs

Contains elematic.ds.Graphs.Graph elements.

Attributes:

Name	Type	Description
graph	list[Graph]	Contains elematic.ds.Graphs.Graph elements.

Graph

Contains a single SVG graph element. Graph uses the W3C's Scalable Vector Graphics markup language (SVG) for describing two dimensional graphics and allows for three types of graphical objects: vector graphics shapes, images, and text. Graph must occur one or more times within the Graphs element. For more information concerning SVG, see the documentation at http://www.w3.org/TR/SVG/.

Attributes:

Name	Type	Description
w3_org_2000_svg_element	list[object]	Contains a single SVG graph element.

MatMLDoc

Defines the top-level element of a MatML document.

Attributes:

Name	Type	Description
material	list[Material]	A list of Material elements.
metadata	Metadata	An optional Metadata element. Defaults to None.

Material

Material class represents the content model for materials data.

Attributes:

Name	Type	Description
bulk_details	BulkDetails	Contains a description of the bulk material.
component_details	list[ComponentDetails]	Contains descriptions of components within the bulk material.
graphs	Graphs	Contains descriptions of two-dimensional graphics.
glossary	Glossary	Contains descriptions of the material and property terms used in the document.
id	str	An optional identification specifier for the material, useful for complex systems such as composite laminates.
layers	int	An optional attribute indicating the number of layers in complex systems such as composite laminates.
local_frame_of_reference	str	An optional identification specifier for the local material orientation relative to the global frame of reference, useful for complex systems such as anisotropic materials.

MeasurementTechniqueDetails

Describes the measurement technique referenced by the elematic.ds.PropertyData element.

Attributes:

Name	Type	Description
name	Name	Contains the name of the measurement technique.
id	str	A unique identifier for the MeasurementTechniqueDetails element. This attribute may be arbitrarily assigned but must be unique among id attributes assigned elsewhere in a MatML document.
notes	str	Any additional information concerning the measurement technique. Defaults to None.

Metadata

Provides the metadata information for a MatML document.

Attributes:

Name	Type	Description
authority_details	list[AuthorityDetails]	Contains a description of authorities referenced from the Specification and Name elements.
data_source_details	list[DataSourceDetails]	Contains a description of a data source referenced using the PropertyData element.
measurement_technique_details	list[MeasurementTechniqueDetails]	Contains a description of a measurement technique referenced using the PropertyData element.
parameter_details	list[ParameterDetails]	Contains a description of a parameter referenced using the PropertyData element.
property_details	list[PropertyDetails]	Contains a description of a property for which materials data are encoded using the PropertyData element.
source_details	list[SourceDetails]	Contains a description of the source of a material or component.
specimen_details	list[SpecimenDetails]	Contains a description of a specimen referenced using the PropertyData element.
test_condition_details	list[TestConditionDetails]	Contains a description of the test condition(s) referenced using the PropertyData element.

check_unique_ids()

Verify that all id attributes are unique between the different elements.

Name

Represents a name with an optional authority attribute.

Attributes:

Name	Type	Description
value	str	A string representing the name. This attribute is required.
authority	str	An optional attribute for identifying an authoritative source of names in the context in which the Name element is used. Defaults to None.

ParameterDetails

Provides the definition of a elematic.ds.ParameterValue element.

Attributes:

Name	Type	Description
name	Name	Contains the name of the parameter.
id	str	This attribute may be arbitrarily assigned but must be unique among id attributes assigned elsewhere in a MatML document.
units	Units	Describes the parameter's units. This attribute is mutually exclusive with unitless.
unitless	Unitless	Indicates that the parameter is unitless. This attribute is mutually exclusive with units.
notes	str	Contains any additional information concerning the parameter.

Warning

Setting either of units or unitless to a non-None value will set the other to None.

ParameterValue

Represents the value of a parameter with associated metadata.

Attributes:

Name	Type	Description
data	Data	Contains the property data.
uncertainty	list[Uncertainty]	Contains the measurement uncertainties of the data.
qualifier	list[str]	Contains any qualifiers pertinent to the data.
notes	str	Contains any additional information concerning the property data.
parameter	str	References an id attribute specified in a ParameterDetails element.
format	DataFormat	Indicates the format of the value.

Data

Contains the property data.

Attributes:

Name	Type	Description
value	str	The value of the data.
format	DataFormat	The format of the value.

PhaseComposition

Represents a phase that comprises the bulk material or component.

Attributes:

Name	Type	Description
name	Name	The name of the phase.
concentration	Concentration	The concentration of the phase.
property_data	list[PropertyData]	Property data for the phase.
notes	str	Any additional information concerning the phase.

ProcessingDetails

Represents a processing step for bulk material or component.

Attributes:

Name	Type	Description
name	Name	The name of the processing step.
parameter_value	list[ParameterValue]	A list of parameter values under which the processing step occurred.
result	str	A description of the outcome or result of the processing step.
notes	str	Any additional information concerning the processing step.

PropertyData

Represents property data.

Attributes:

Name	Type	Description
data	Data	Contains the property data.
uncertainty	list[Uncertainty]	Contains the measurement uncertainty(ies) of the data.
qualifier	list[str]	Contains any qualifier(s) pertinent to the data (e.g. "min," "max," etc.).
parameter_value	list[ParameterValue]	Contains the value(s) of a parameter under which the data were determined.
notes	None | str	Contains any additional information concerning the property data.
property	str	Required attribute that references an id attribute specified in a PropertyDetails element.
technique	None | str	Optional attribute that references an id attribute specified in a MeasurementTechniqueDetails element.
source	None | str	Optional attribute that references an id attribute specified in a DataSourceDetails element.
specimen	None | str	Optional attribute that references an id attribute specified in a SpecimenDetails element.
test	None | str	Optional attribute that references an id attribute specified in a TestConditionDetails element.
delimiter	str	Specifies the delimiter that separates multiple values in the Data, Qualifier, Uncertainty, and ParameterValue elements. The default value is a comma (',').
quote	None | str	Specifies the string that is used to quote values in the Data, Qualifier, Uncertainty, and ParameterValue elements. The default value is a null string, which is equivalent to saying that the values are not quoted.

Data

Data class that represents the data values used by elematic.ds.PropertyData.

Attributes:

Name	Type	Description
value	str	A string value with a default of an empty string.
format	DataFormat	A DataFormat object.

Note

This class is distinct from elematic.ds.ParameterValue.Data, in that the format attribute herein is required, whereas in elematic.ds.ParameterValue, it is optional.

PropertyDetails

Provides the defition of a elematic.ds.PropertyData element.

Attributes:

Name	Type	Description
name	Name	Contains the name of the property.
id	str	A unique identifier for the PropertyDetails element. This attribute may be arbitrarily assigned but must be unique among id attributes assigned elsewhere in a MatML document.
units	Units	Describes the property's units. This attribute is mutually exclusive with unitless.
unitless	Unitless	Indicates that the property is unitless. This attribute is mutually exclusive with units.
notes	str	Contains any additional information concerning the property.

Warning

Setting either of units or unitless to a non-None value will set the other to None.

Source

The source of the bulk material or component. Attributes: source (str, optional): An optional attribute representing the source of the bulk material or component. Defaults to None.

SourceDetails

Contains the name of the source of the component.

Attributes:

Name	Type	Description
name	Name	Contains the name of the source.
id	str	A unique identifier for the SourceDetails element. This attribute may be arbitrarily assigned but must be unique among id attributes assigned elsewhere in a MatML document.
notes	str	Any additional information concerning the source. Defaults to None.
type_value	str	The type of the source (e.g., unpublished report, journal, handbook, etc.). Defaults to None.

Specification

Represents a specification for bulk material or component. It contains a string value representing the specification and an optional attribute, authority, for identifying an authoritative source of specifications.

Attributes:

Name	Type	Description
value	str	The specification content. This field is required.
authority	str	An optional attribute for identifying an authoritative source of specifications. Defaults to None.

SpecimenDetails

Describes a specimen referenced by the elematic.ds.PropertyData element.

Attributes:

Name	Type	Description
id	str	A unique identifier for the SpecimenDetails element. This attribute may be arbitrarily assigned but must be unique among id attributes assigned elsewhere in a MatML document.
name	Name	Contains the name of the specimen. Defaults to None.
notes	str	Any additional information concerning the specimen. Defaults to None.
geometry	Geometry	Contains a description of the geometry of the component. Defaults to None.
type_value	str	The type of the specimen (e.g., "cylindrical," "rectangular," "full cross-section," "pressed," etc.). Defaults to None.

TestConditionDetails

Describes a test condition referenced by the elematic.ds.PropertyData element.

Attributes:

Name	Type	Description
parameter_value	list[ParameterValue]	Contains the value(s) of a parameter, i.e., a test condition.
notes	str	Contains any additional information concerning the test conditions.
id	str	A required attribute that must be unique among id attributes assigned elsewhere in a MatML document.

Uncertainty

Describes the measurement uncertainty of the data.

Attributes:

Name	Type	Description
value	Value	Contains the value of the uncertainty.
units	Units	Contains the units for the value of the uncertainty. This attribute is mutually exclusive with unitless.
unitless	Unitless	Indicates if the value is unitless. This attribute is mutually exclusive with units.
notes	str	Contains any additional information concerning the uncertainty, such as a description of the evaluation of the uncertainty.
scale	UncertaintyScale	Represents the scale of the uncertainty.
distribution_type	(str, scale)	The type of distribution, default is "Normal/Gaussian".
num_std_dev	float	Number of standard deviations, default is 2.0.
percentile	float	A value indicating the percentage of the data population value. If Percentile is not given then Value is interpreted as being an equal and unspecified deviation above and below the Property value(s).
confidence_level	float	The confidence level of the uncertainty.

Warning

Setting either of units or unitless to a non-None value will set the other to None.

UncertaintyScale

An enumeration representing different scales of uncertainty.

Attributes:

Name	Type	Description
LINEAR	str	Represents a linear scale of uncertainty.
LOGARITHMIC	str	Represents a logarithmic scale of uncertainty.

Unit

Defines a unit of measurement. Unit has the choice of two attributes: name or currency.

Attributes:

Name	Type	Description
name	str	Contains the name of the unit. Defaults to None.
currency	CurrencyCode	Contains the currency code of the unit. Defaults to None.
power	Decimal	Contains the power of the unit. Defaults to None.
description	str	Contains a description of the unit. Defaults to None.

Notes

Multiple Unit elements are multiplied together to form units. Division is specified by setting the power attribute of the Unit to "-1".

Unitless

An empty element used whenever a property, parameter, or uncertainty value has no units.

Units

A class to represent a collection of units with associated metadata.

Attributes:

Name	Type	Description
unit	list[Unit]	A list of Unit objects.
system	str	The system attribute. Defaults to None.
factor	float	The factor attribute. Defaults to None.
name	str	The name attribute. Defaults to None.
description	str	The description attribute. Defaults to None.

Value

Contains a string representation of a value, and a format attribute.

Attributes:

Name	Type	Description
value	str	A string representing a value.
format	DataFormat	The format of the value.