atlas.workflows.datatypes package

Submodules

atlas.workflows.datatypes.aiida_cli module

atlas.workflows.datatypes.image_types module

Custom data types for image handling in atlas.

class atlas.workflows.datatypes.image_types.ImagePNGData(*args: Any, **kwargs: Any)

Bases: SinglefileData

A new data type that contains an image in PNG format.

display_image()

Open the image with the default image viewer.

atlas.workflows.datatypes.mlip module

Custom datatype for MLIP model files in atlas.

class atlas.workflows.datatypes.mlip.MLIPModelFileData(*args, source=None, **kwargs)

Bases: Data

A new data type that contains a MLIP model.

fields = {'attributes': 'QbDictField(attributes.*) -> typing.Optional[typing.Dict[str, '                'typing.Any]]',  'computer': 'QbNumericField(computer) -> typing.Optional[int]',  'ctime': 'QbNumericField(ctime) -> typing.Optional[datetime.datetime]',  'description': 'QbStrField(description) -> typing.Optional[str]',  'extras': 'QbDictField(extras.*) -> typing.Optional[typing.Dict[str, '            'typing.Any]]',  'label': 'QbStrField(label) -> typing.Optional[str]',  'mtime': 'QbNumericField(mtime) -> typing.Optional[datetime.datetime]',  'node_type': 'QbStrField(node_type) -> typing.Optional[str]',  'pk': 'QbNumericField(pk) -> typing.Optional[int]',  'process_type': 'QbStrField(process_type) -> typing.Optional[str]',  'repository_content': 'QbDictField(repository_content) -> '                        'typing.Optional[dict[str, bytes]]',  'repository_metadata': 'QbDictField(repository_metadata) -> '                         'typing.Optional[typing.Dict[str, typing.Any]]',  'source': 'QbDictField(attributes.source.*) -> typing.Optional[dict]',  'user': 'QbNumericField(user) -> typing.Optional[int]',  'uuid': 'QbStrField(uuid) -> typing.Optional[str]'}

Module contents

Module for custom datatypes used in workflows.