gemd.entity.value.inchi_value module

An empirical chemical formula.

class gemd.entity.value.inchi_value.InChI(inchi=None)

A molecular structure encoded according to the IUPAC International Chemical Identifier (InChI).

Parameters: inchi (str) – A string formatted according to the InChI standard.

as_dict() → Dict[str, Any]

Convert the object to a dictionary.

Returns: A dictionary representation of the object, where the keys are its fields.
Return type: dict

static build(d: Mapping[str, Any]) → DictSerializableType

Build an object from a JSON dictionary.

This differs from from_dict in that the values themselves may also be dictionaries corresponding to serialized DictSerializable objects.

dump() → Dict[str, Any]

Convert the object to a JSON dictionary, so that every entry is serialized.

Uses the json encoder client, so objects with uids are converted to LinkByUID dictionaries.

classmethod from_dict(d: Mapping[str, Any]) → DictSerializableType

Reconstitute the object from a dictionary.

Parameters: d (dict) – The object as a dictionary of key-value pairs that correspond to the object’s fields.
Returns: The deserialized object.
Return type: DictSerializable