Source code for httk.atomistic.models.sites.numeric_view
"""
A view presenting any sites backend as a NumericSites object (the plain-numpy presentation).
"""
from functools import cached_property
from typing import Any, Self
from httk.core import unwrap
from httk.atomistic.models._vector_guards import require_numpy
from httk.atomistic.models.sites.backend import SitesBackend
from httk.atomistic.models.sites.like import SitesLike
from httk.atomistic.models.sites.numeric import NumericSites
from httk.atomistic.models.sites.sites import Sites
from httk.atomistic.models.sites.view_base import SitesViewBase
[docs]
class SitesNumericView(SitesViewBase, NumericSites):
r"""
A view presenting an underlying sites backend as a ``NumericSites`` object.
This view is a genuine ``NumericSites``, so it can be passed anywhere one is accepted. Its exact
``Sites`` is built lazily from the backend on first access. Like a ``NumericSites`` it requires
numpy (raising :class:`ImportError` otherwise).
:param obj: The sites-like object to present.
:param \**hints: Backend-selection hints.
"""
_backend: SitesBackend
def __new__(cls, obj: SitesLike, **hints: Any) -> Self:
if isinstance(obj, cls):
return obj
require_numpy()
backend = cls._prepare_backend(obj, hints)
instance = super().__new__(cls)
instance._backend = backend
return instance
def __init__(self, obj: SitesLike, **hints: Any) -> None:
pass
# Build then assign so a failed exact presentation leaves the shadow unmaterialized.
def _fill_sites(self) -> None:
NumericSites.__init__(self, Sites(self._backend.reduced_coords, self._backend.precision))
@cached_property
def _sites(self) -> Sites: # type: ignore[override] # pyright: ignore[reportIncompatibleVariableOverride]
self._fill_sites()
return self.__dict__["_sites"]
[docs]
def unwrap(self) -> Any:
"""Return the raw object behind the backend.
:return: The unwrapped source object.
"""
return unwrap(self._backend)
[docs]
def unview(self) -> NumericSites:
"""Return this presentation as standalone numeric sites.
:return: The plain-numpy presentation.
"""
# A genuine NumericSites backend is exactly the presented value: reuse it.
backend = self._backend
if type(backend) is NumericSites:
return backend
return NumericSites(self._sites)