Source

class openff.evaluator.datasets.Source[source]

Container class for information about how a property was measured / calculated.

Todo

Swap this out with a more general provenance class.

__init__()

Methods

__init__()

from_json(file_path)

Create this object from a JSON file.

json([file_path, format])

Creates a JSON representation of this class.

parse_json(string_contents)

Parses a typed json string into the corresponding class structure.
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

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)

Parses a typed json string into the corresponding class structure.

Parameters

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

Returns

The parsed class.

Return type

Any