MeasurementSource
- class openff.evaluator.datasets.MeasurementSource(doi='', reference='')[source]
Contains any metadata about how a physical property was measured by experiment.
This class contains either the DOI and/or the reference, but must contain at least one as the observable must have a source, even if it was measured in lab.
- doi
The DOI for the source, preferred way to identify for source
- Type
str or None, default None
- reference
The long form description of the source if no DOI is available, or more information is needed or wanted.
- Type
- __init__(doi='', reference='')[source]
Constructs a new MeasurementSource object.
Methods
__init__
([doi, reference])Constructs a new MeasurementSource object.
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