OpenFF Evaluator documentation

openff-evaluator

Attribute

class openff.evaluator.attributes.Attribute(docstring, type_hint, default_value=UNDEFINED, optional=False, read_only=False)

A custom descriptor used to add useful metadata to class attributes.

This decorator expects the object to have a matching private field in addition to the public attribute. For example if an object has an attribute substance, the object must also have a _substance field.

Notes

The attribute class will automatically create this private attribute on the object and populate it with the default value.

__init__(docstring, type_hint, default_value=UNDEFINED, optional=False, read_only=False)

Initializes a new Attribute object.

Parameters

• docstring (str) – A docstring describing the attributes purpose. This will automatically be decorated with additional information such as type hints, default values, etc.

• type_hint (type, Union) – The expected type of this attribute. This will be used to help the workflow engine ensure that expected input types match corresponding output values.

• default_value (Any) – The default value for this attribute.

• optional (bool) – Defines whether this is an optional input of a class. If true, the default_value should be set to UNDEFINED.

• read_only (bool) – Defines whether this attribute is read-only.

Methods

__init__(docstring, type_hint[, ...])

Initializes a new Attribute object.