TaproomSource
- class openff.evaluator.datasets.taproom.TaproomSource(doi='', comment='', technique='', host_identifier='', guest_identifier='')[source]
Contains metadata about the source of a host-guest binding affinity measurement which was pulled from the
taproom
package.- __init__(doi='', comment='', technique='', host_identifier='', guest_identifier='')[source]
Constructs a new MeasurementSource object.
- Parameters
Methods
__init__
([doi, comment, technique, ...])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