RequestOptions¶

class openff.evaluator.client.RequestOptions[source]¶

The options to use when requesting a set of physical properties be estimated by the server.

__init__()¶: Initialize self. See help(type(self)) for accurate signature.

Methods

`__init__`()	Initialize self.
`add_schema`(layer_type, property_type, schema)	A convenience function for adding a calculation schema to the schema dictionary.
`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

`batch_mode`	The way in which the server should batch together properties to estimate.
`calculation_layers`	The calculation layers which may be used to estimate the set of physical properties.
`calculation_schemas`	The schemas that each calculation layer should use when estimating the set of physical properties.

calculation_layers¶

The calculation layers which may be used to estimate the set of physical properties. The order in which the layers appears in this list determines the order in which the layers will attempt to estimate the data set. The default value of this attribute is ['ReweightingLayer', 'SimulationLayer'].

Type: list

calculation_schemas¶

The schemas that each calculation layer should use when estimating the set of physical properties. The dictionary should be of the form [property_type][layer_type]. The default value of this attribute is not set. This attribute is optional.

Type: dict

batch_mode¶

The way in which the server should batch together properties to estimate. Properties will only be marked as finished when all properties in a single batch are completed. The default value of this attribute is BatchMode.SharedComponents. This attribute is optional.

Type: BatchMode

add_schema(layer_type, property_type, schema)[source]¶

A convenience function for adding a calculation schema to the schema dictionary.

Parameters

layer_type (str or type of CalculationLayer) – The layer to associate the schema with.
property_type (str or type of PhysicalProperty) – The class of property to associate the schema with.
schema (CalculationSchema) – The schema to add.

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

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