httk.core.optimade.entries

Typed, exact OPTIMADE resource backends for core standard entry types.

The resource and its schema snapshot remain the sole source of truth. A typed backend recognizes values by property-definition IRI from the supplied /info/<entry> document; a remote transport name is only an address after that IRI match has been established. The record views deliberately defer all document parsing and generated-record construction until .record (or a delegated field) is requested.

Attributes

OptimadeValueDecoder

Exceptions

IncompleteOptimadeResourceError

A resource lacks, nulls, or malforms a local record property.

Classes

OptimadeEntryBackend	Store one typed handle around an authoritative OPTIMADE resource.
OptimadeReference	Bind an OPTIMADE resource to the standard references schema.
OptimadeFile	Bind an OPTIMADE resource to the standard files schema.
OptimadeCalculation	Bind an OPTIMADE resource to the standard calculations schema.
OptimadeEntryView	Present one typed resource backend as a lazy generated record.
ReferenceView	Present an OptimadeReference as a lazy canonical view.
FileView	Present an OptimadeFile as a lazy canonical view.
CalculationView	Present an OptimadeCalculation as a lazy canonical view.

Functions

decode_optimade_value(definition, value)

Decode one value exactly from its local property definition.

Module Contents

type httk.core.optimade.entries.OptimadeValueDecoder = Callable[[object, PropertyDefinition], object]

exception httk.core.optimade.entries.IncompleteOptimadeResourceError

Bases: ValueError

A resource lacks, nulls, or malforms a local record property.

httk.core.optimade.entries.decode_optimade_value(definition, value)

Decode one value exactly from its local property definition.

Binding-specific decoder callables use the stable signature decoder(value, definition) and replace this generic decoder for their exact property-definition IRI. JSON floats are retained as Decimal; nested lists and dictionaries become tuples and immutable mappings.

Parameters:

• definition (httk.core.property_definitions.PropertyDefinition) – Local property definition that describes the value.

• value (object) – Raw value to decode.

Returns:

Decoded value with nested containers made immutable.

Raises:

• TypeError – If the value does not match the declared property shape.

• ValueError – If the property definition is unsupported or malformed.

Return type:

object

class httk.core.optimade.entries.OptimadeEntryBackend

Store one typed handle around an authoritative OPTIMADE resource.

Parameters:

resource – Source resource and its schema provenance.

resource: httk.core.optimade.resources.OptimadeResource

kind: ClassVar[str] = 'optimade'

entry_type_name: ClassVar[str]

entry_type_definition_id: ClassVar[str]

property raw: collections.abc.Mapping[str, httk.core.optimade.resources.FrozenJson]

The immutable JSON API resource mapping, retaining source provenance.

unwrap()

Return the exact source resource, including document and schema provenance.

Returns:

The source resource represented by this backend.

Return type:

httk.core.optimade.resources.OptimadeResource

property local_schema: httk.core.property_definitions.EntryTypeDefinition

Return the standard local schema for this backend.

value_by_definition_id(definition_id, *, default=_MISSING)

Return a raw value by exact semantic IRI, retaining missing vs. null.

Values are intentionally undecoded here. This lets record views name missing/null semantic properties accurately and gives callers access to exact raw JSON before selecting a representation.

Parameters:

• definition_id (str) – Semantic property IRI to look up.

• default (object) – Value to return when the property is not present.

Returns:

The raw property value, or default when it is absent.

Raises:

ValueError – If the resource attributes or schema mapping is malformed.

Return type:

object

decode_value(definition, value)

Decode value, applying an exact-IRI binding override when present.

Parameters:

• definition (httk.core.property_definitions.PropertyDefinition) – Local property definition for the value.

• value (object) – Raw value to decode.

Returns:

Decoded value from the matching generic or binding-specific decoder.

Raises:

• TypeError – If the value does not match the selected property decoder.

• ValueError – If the property definition or value is invalid.

Return type:

object

property id: str

Return the semantic resource identifier.

property type: str

Return the semantic resource type identifier.

property immutable_id: str | None

Return the optional immutable semantic identifier.

property last_modified: datetime.datetime | None

Return the optional last-modified timestamp.

class httk.core.optimade.entries.OptimadeReference

Bases: OptimadeEntryBackend

Bind an OPTIMADE resource to the standard references schema.

Parameters:

resource – Source resource and its schema provenance.

entry_type_name: ClassVar[str] = 'references'

entry_type_definition_id: ClassVar[str] = 'https://schemas.optimade.org/defs/v1.2/entrytypes/optimade/references'

class httk.core.optimade.entries.OptimadeFile

Bases: OptimadeEntryBackend

Bind an OPTIMADE resource to the standard files schema.

Parameters:

resource – Source resource and its schema provenance.

entry_type_name: ClassVar[str] = 'files'

entry_type_definition_id: ClassVar[str] = 'https://schemas.optimade.org/defs/v1.2/entrytypes/optimade/files'

class httk.core.optimade.entries.OptimadeCalculation

Bases: OptimadeEntryBackend

Bind an OPTIMADE resource to the standard calculations schema.

Parameters:

resource – Source resource and its schema provenance.

entry_type_name: ClassVar[str] = 'calculations'

entry_type_definition_id: ClassVar[str] = 'https://schemas.optimade.org/defs/v1.3/entrytypes/optimade/calculations'

class httk.core.optimade.entries.OptimadeEntryView(backend)

Present one typed resource backend as a lazy generated record.

Parameters:

backend (OptimadeEntryBackend | OptimadeEntryView) – Typed backend to present, or an existing compatible view.

backend_class: ClassVar[type[OptimadeEntryBackend]]

record_class: ClassVar[type[httk.core.entry_types.Reference] | type[httk.core.entry_types.File] | type[httk.core.entry_types.Calculation]]

property backend: OptimadeEntryBackend

Return the typed backend behind this view.

unwrap()

Return the exact source resource behind this view.

property id: str

Return the resource identifier.

property type: str

Return the resource type identifier.

property record: httk.core.entry_types.Reference | httk.core.entry_types.File | httk.core.entry_types.Calculation

Return the lazily materialized canonical record.

class httk.core.optimade.entries.ReferenceView(backend)

Bases: OptimadeEntryView

Present an OptimadeReference as a lazy canonical view.

Parameters:

backend (OptimadeEntryBackend | OptimadeEntryView) – Reference backend to present, or an existing compatible view.

backend_class

record_class

class httk.core.optimade.entries.FileView(backend)

Bases: OptimadeEntryView

Present an OptimadeFile as a lazy canonical view.

Parameters:

backend (OptimadeEntryBackend | OptimadeEntryView) – File backend to present, or an existing compatible view.

backend_class

record_class

class httk.core.optimade.entries.CalculationView(backend)

Bases: OptimadeEntryView

Present an OptimadeCalculation as a lazy canonical view.

Parameters:

backend (OptimadeEntryBackend | OptimadeEntryView) – Calculation backend to present, or an existing compatible view.

backend_class

record_class