Metadata

class openff.qcsubmit.common_structures.Metadata(*, submitter='docs', creation_date=datetime.date(2025, 2, 12), collection_type=None, dataset_name=None, short_description=None, long_description_url=None, long_description=None, elements={})[source]

A general metadata class which is required to be filled in before submitting a dataset to the qcarchive.

Parameters:

  • submitter (str) –

  • creation_date (date) –

  • collection_type (str | None) –

  • dataset_name (str | None) –

  • short_description (ConstrainedStrValue | None) –

  • long_description_url (HttpUrl | None) –

  • long_description (ConstrainedStrValue | None) –

  • elements (Set[str]) –

__init__(**data)

Create a new model by parsing and validating input data from keyword arguments.

Raises ValidationError if the input data cannot be parsed to form a valid model.

Parameters:

data (Any) –

Return type:

None

Methods

__init__(**data)

Create a new model by parsing and validating input data from keyword arguments.

construct([_fields_set])

Creates a new model setting __dict__ and __fields_set__ from trusted or pre-validated data.

copy(*[, include, exclude, update, deep])

Duplicate a model, optionally choose which fields to include, exclude and change.

dict(*[, include, exclude, by_alias, ...])

Generate a dictionary representation of the model, optionally specifying which fields to include or exclude.

from_orm(obj)

json(*[, include, exclude, by_alias, ...])

Generate a JSON representation of the model, include and exclude arguments as per dict().

parse_file(path, *[, content_type, ...])

parse_obj(obj)

parse_raw(b, *[, content_type, encoding, ...])

schema([by_alias, ref_template])

schema_json(*[, by_alias, ref_template])

update_forward_refs(**localns)

Try to update ForwardRefs on fields based on this Model, globalns and localns.

validate(value)

validate_metadata([raise_errors])

Before submitting this function should be called to highlight any incomplete fields.

Attributes

submitter

creation_date

collection_type

dataset_name

short_description

long_description_url

long_description

elements

validate_metadata(raise_errors=False)[source]

Before submitting this function should be called to highlight any incomplete fields.

Parameters:

raise_errors (bool) –

Return type:

List[str] | None