Source code for httk.atomistic.structure_numeric_view

"""
A view presenting any structure backend as a NumericStructure (the plain-numpy presentation).
"""

from typing import Any, Self

from httk.core import unwrap

from .numeric_structure import NumericStructure
from .structure import Structure
from .structure_backend import StructureBackend
from .structure_like import StructureLike
from .structure_view import StructureView




class StructureNumericView(StructureView, NumericStructure):
    """
    A view presenting an underlying structure backend as a ``NumericStructure``.

    This view is a genuine ``NumericStructure``, so it can be passed anywhere one is accepted. Its
    exact ``Structure`` is built eagerly from the backend's quartet on construction. Like a
    ``NumericStructure`` it requires numpy (raising :class:`ImportError` otherwise).
    """

    _backend: StructureBackend

    def __new__(cls, obj: StructureLike, **hints: Any) -> Self:
        if isinstance(obj, cls):
            return obj
        backend = cls._prepare_backend(obj, hints)
        instance = super().__new__(cls)
        # NumericStructure is mutable, so its state is initialized here in __new__ (keeping __init__
        # a no-op), so that rewrapping an existing view via cls(view) does not re-initialize it.
        NumericStructure.__init__(
            instance,
            Structure(backend.cell, backend.sites, backend.species, backend.species_at_sites),
        )
        instance._backend = backend
        return instance

    def __init__(self, obj: StructureLike, **hints: Any) -> None:
        pass



    def unwrap(self) -> Any:
        return unwrap(self._backend)