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[, encoding])Parses a typed json string into the corresponding class structure.
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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
-
json
(file_path=None, format=False)¶ Creates a JSON representation of this class.
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