ProtocolSchema¶
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class
openff.evaluator.workflow.schemas.
ProtocolSchema
(unique_id=None, protocol_type=None, inputs=None)[source]¶ A json serializable representation of a workflow protocol.
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__init__
(unique_id=None, protocol_type=None, inputs=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.
Creates a new protocol object from this schema.
validate
([attribute_type])Validate the values of the attributes.
Attributes
The unique id associated with the protocol.
The inputs to the protocol.
The type of protocol associated with this schema.
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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
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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
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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
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to_protocol
()[source]¶ Creates a new protocol object from this schema.
- Returns
The protocol created from this schema.
- Return type
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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
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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
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json
(file_path=None, format=False)¶ Creates a JSON representation of this class.
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classmethod
parse_json
(string_contents, encoding='utf8')¶ Parses a typed json string into the corresponding class structure.
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validate
(attribute_type=None)¶ 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 –
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