WorkflowResult¶

class propertyestimator.workflow.WorkflowResult[source]

The result of executing a Workflow as part of a WorkflowGraph.

__init__()

Initialize self. See help(type(self)) for accurate signature.

Methods

 __init__ Initialize self. from_json(file_path) Create this object from a JSON file. get_attributes([attribute_type]) Returns all attributes of a specific attribute_type. json([file_path, format]) Creates a JSON representation of this class. parse_json(string_contents[, encoding]) Parses a typed json string into the corresponding class structure. validate([attribute_type]) Validate the values of the attributes.

Attributes

 data_to_store Paths to the data objects to store. exceptions Any exceptions raised by the layer while estimating the property. gradients The gradients of the estimated value with respect to the specified force field parameters. value The estimated value of the property and the uncertainty in that value. workflow_id The id of the workflow associated with this result.
workflow_id

The id of the workflow associated with this result. The default value of this attribute is not set and must be set by the user..

Type

str

value

The estimated value of the property and the uncertainty in that value. The default value of this attribute is not set. This attribute is optional.

Type

Measurement

gradients

The gradients of the estimated value with respect to the specified force field parameters. The default value of this attribute is [].

Type

list

exceptions

Any exceptions raised by the layer while estimating the property. The default value of this attribute is [].

Type

list

data_to_store

Paths to the data objects to store. The default value of this attribute is [].

Type

list

validate(attribute_type=None)[source]

Validate the values of the attributes. If attribute_type is set, only attributes of that type will be validated.

Parameters

attribute_type (type of Attribute, optional) – The type of attribute to validate.

Raises
classmethod from_json(file_path)

Create this object from a JSON file.

Parameters

file_path (str) – The path to load the JSON from.

Returns

The parsed class.

Return type

cls

classmethod get_attributes(attribute_type=None)

Returns all attributes of a specific attribute_type.

Parameters

attribute_type (type of Attribute, optional) – The type of attribute to search for.

Returns

The names of the attributes of the specified type.

Return type

list of str

json(file_path=None, format=False)

Creates a JSON representation of this class.

Parameters
• file_path (str, optional) – The (optional) file path to save the JSON file to.

• format (bool) – Whether to format the JSON or not.

Returns

The JSON representation of this class.

Return type

str

classmethod parse_json(string_contents, encoding='utf8')

Parses a typed json string into the corresponding class structure.

Parameters
• string_contents (str or bytes) – The typed json string.

• encoding (str) – The encoding of the string_contents.

Returns

The parsed class.

Return type

Any