Metadata
- pydantic model openff.qcsubmit.common_structures.Metadata[source]
A general metadata class which is required to be filled in before submitting a dataset to the qcarchive.
Show JSON schema
{ "title": "Metadata", "description": "A general metadata class which is required to be filled in before submitting a dataset to the qcarchive.", "type": "object", "properties": { "submitter": { "title": "Submitter", "description": "The name of the submitter/creator of the dataset, this is automatically generated but can be changed.", "default": "docs", "type": "string" }, "creation_date": { "title": "Creation Date", "description": "The date the dataset was created on, this is automatically generated.", "default": "2023-01-06", "type": "string", "format": "date" }, "collection_type": { "title": "Collection Type", "description": "The type of collection that will be created in QCArchive this is automatically updated when attached to a dataset.", "type": "string" }, "dataset_name": { "title": "Dataset Name", "description": "The name that will be given to the collection once it is put into QCArchive, this is updated when attached to a dataset.", "type": "string" }, "short_description": { "title": "Short Description", "description": "A short informative description of the dataset.", "minLength": 8, "pattern": "[a-zA-Z]", "type": "string" }, "long_description_url": { "title": "Long Description Url", "description": "The url which links to more information about the submission normally a github repo with scripts showing how the dataset was created.", "minLength": 1, "maxLength": 2083, "format": "uri", "type": "string" }, "long_description": { "title": "Long Description", "description": "A long description of the purpose of the dataset and the molecules within.", "minLength": 8, "pattern": "[a-zA-Z]", "type": "string" }, "elements": { "title": "Elements", "description": "The unique set of elements present in the dataset", "default": [], "type": "array", "items": { "type": "string" }, "uniqueItems": true } } }
- Config
allow_mutation: bool = True
arbitrary_types_allowed: bool = True
json_encoders: dict = {<class ‘numpy.ndarray’>: <function DatasetConfig.Config.<lambda> at 0x7f458c1c88b0>, <enum ‘Enum’>: <function DatasetConfig.Config.<lambda> at 0x7f458c1c8940>}
validate_assignment: bool = True
- Fields
- field submitter: str = 'docs'
The name of the submitter/creator of the dataset, this is automatically generated but can be changed.
- field creation_date: datetime.date = datetime.date(2023, 1, 6)
The date the dataset was created on, this is automatically generated.
- field collection_type: Optional[str] = None
The type of collection that will be created in QCArchive this is automatically updated when attached to a dataset.
- field dataset_name: Optional[str] = None
The name that will be given to the collection once it is put into QCArchive, this is updated when attached to a dataset.
- field short_description: Optional[openff.qcsubmit.common_structures.ConstrainedStrValue] = None
A short informative description of the dataset.
- Constraints
minLength = 8
pattern = [a-zA-Z]
- field long_description_url: Optional[pydantic.networks.HttpUrl] = None
The url which links to more information about the submission normally a github repo with scripts showing how the dataset was created.
- Constraints
minLength = 1
maxLength = 2083
format = uri
- field long_description: Optional[openff.qcsubmit.common_structures.ConstrainedStrValue] = None
A long description of the purpose of the dataset and the molecules within.
- Constraints
minLength = 8
pattern = [a-zA-Z]
- field elements: Set[str] = {}
The unique set of elements present in the dataset