API

The public API is small on purpose.

Most users will spend most of their time in the top-level package namespace and in the quantity-specific convenience helpers. The lower-level modules are still documented because they expose the actual data model behind the package.

Common tasks

• get a single value: use get_covalent_radius(...), get_vdw_radius(...), or get_xh_bond_length(...)
• inspect provenance: use lookup_covalent_radius(...), lookup_vdw_radius(...), lookup_xh_bond_length(...), or the generic lookup_value(...)
• browse packaged datasets: use list_quantities(), get_quantity_info(...), list_dataset_infos(...), list_radii_set_infos(...), or list_xh_set_infos(...)
• load a packaged set directly: use get_builtin_set(...), get_radii_set(...), or get_xh_set(...)
• define a custom set: use ElementScalarSet.from_mapping(...)
• define transfer-backed lookup behavior: use ValuePolicy, RadiiPolicy, XHPolicy, SubstitutionTransfer, and LinearTransfer

Module reference

• Top-level package
• Elements
• Registry and packaged datasets
• Transfer models
• Generic policy core
• Radii API
• X–H API