ProtocolGroupSchema¶

class openff.evaluator.workflow.schemas.ProtocolGroupSchema(unique_id=None, protocol_type=None, inputs=None, protocol_schemas=None)[source]¶

A json serializable representation of a workflow protocol group.

__init__(unique_id=None, protocol_type=None, inputs=None, protocol_schemas=None)[source]¶: Initialize self. See help(type(self)) for accurate signature.

Methods

`__init__`([unique_id, protocol_type, inputs, …])	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.
`to_protocol`()	Creates a new protocol object from this schema.
`validate`([attribute_type])	Validate the values of the attributes.

Attributes

`id`	The unique id associated with the protocol.
`inputs`	The inputs to the protocol.
`protocol_schemas`	The schemas of the protocols within this group.
`type`	The type of protocol associated with this schema.

protocol_schemas¶

The schemas of the protocols within this group. The default value of this attribute is not set and must be set by the user.. This attribute is read-only.

Type: dict

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: ValueError or AssertionError –

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

id¶

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

Type: str

inputs¶

The inputs to the protocol. The default value of this attribute is not set and must be set by the user.. This attribute is read-only.

Type: dict

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

to_protocol()¶

Creates a new protocol object from this schema.

Returns: The protocol created from this schema.
Return type: Protocol

type¶

The type of protocol associated with this schema. The default value of this attribute is not set and must be set by the user.. This attribute is read-only.

Type: str