site_analysis.spherical_site¶

class SphericalSite(frac_coords: numpy.ndarray, rcut: float, label: Optional[str] = None)[source]¶

as_dict() → Dict[KT, VT][source]¶

Json-serializable dict representation of this Site.

Parameters:	None –
Returns:	(dict)

centre() → numpy.ndarray[source]¶

Returns the centre point of this site.

This method should be implemented in the derived subclass.

Parameters:	None –
Returns:	None

contains_atom(atom: site_analysis.atom.Atom, lattice: Optional[pymatgen.core.lattice.Lattice] = None, *args, **kwargs) → bool[source]¶

Test whether this site contains a specific atom.

Parameters:	atom (Atom) – The atom to test.
Returns:	(bool)

contains_point(x: numpy.ndarray, lattice: Optional[pymatgen.core.lattice.Lattice] = None, *args, **kwargs) → bool[source]¶

Test whether the fractional coordinate x is contained by this site.

This method should be implemented in the derived subclass

Parameters:	x (np.array) – Fractional coordinate.
Returns:	(bool)

Note

Specific Site subclasses may require additional arguments to be passed.

classmethod from_dict(d: Dict[KT, VT]) → site_analysis.spherical_site.SphericalSite[source]¶

Create a Site object from a dict representation.

Parameters:	d (dict) – The dict representation of this Site.
Returns:	(Site)