httk.atomistic.storage.stored_properties¶

Stored OPTIMADE property declarations for native structure backings.

The declarations in this module deliberately name the durable record graph, not a storage implementation. In particular, composition predicates use the authoritative normalized-composition relation and exact cross multiplication; they never compare presentation floats or persist rendered formula strings.

Functions¶

`unitcell_structure_properties`()	Build the stored-property declarations for unit-cell records.
`fundamental_domain_structure_properties`()	Build the stored-property declarations for fundamental-domain records.
`asymmetric_unit_structure_properties`()	Build the stored-property declarations for asymmetric-unit records.
`attach_structure_property_projections`(unitcell, ...)	Attach exact-class property declarations to structure record classes.

Module Contents¶

httk.atomistic.storage.stored_properties.unitcell_structure_properties()[source]¶

Build the stored-property declarations for unit-cell records.

Returns:: The property declaration map for unit-cell structure records.
Return type:: collections.abc.Mapping[str, httk.core.storage.StoredPropertyProjection]

httk.atomistic.storage.stored_properties.fundamental_domain_structure_properties()[source]¶

Build the stored-property declarations for fundamental-domain records.

Returns:: The property declaration map for fundamental-domain records.
Return type:: collections.abc.Mapping[str, httk.core.storage.StoredPropertyProjection]

httk.atomistic.storage.stored_properties.asymmetric_unit_structure_properties()[source]¶

Build the stored-property declarations for asymmetric-unit records.

Returns:: The property declaration map for asymmetric-unit records.
Return type:: collections.abc.Mapping[str, httk.core.storage.StoredPropertyProjection]

httk.atomistic.storage.stored_properties.attach_structure_property_projections(unitcell, fundamental_domain, asymmetric_unit)[source]¶

Attach exact-class property declarations to structure record classes.

Parameters:

unitcell (type[Any]) – The unit-cell record class to receive its declarations.
fundamental_domain (type[Any]) – The fundamental-domain record class to receive its declarations.
asymmetric_unit (type[Any]) – The asymmetric-unit record class to receive its declarations.

Returns:

None after attaching the declaration maps.

Return type:

None