moyopy.interface

moyopy.interface#

Classes#

MoyoAdapter

Module Contents#

class moyopy.interface.MoyoAdapter[source]#
static get_structure(cell: moyopy.Cell) → pymatgen.core.Structure[source]#
static get_atoms(cell: moyopy.Cell) → ase.Atoms[source]#
static from_structure(structure: pymatgen.core.Structure) → moyopy.Cell[source]#
static from_atoms(atoms: ase.Atoms) → moyopy.Cell[source]#
static from_py_obj(struct: pymatgen.core.Structure | ase.Atoms | pymatgen.io.ase.MSONAtoms) → moyopy.Cell[source]#

Convert a Python atomic structure object to a Moyo Cell.

Parameters:

struct – Currently supports pymatgen Structure, ASE Atoms, and MSONAtoms

Returns:

The converted Moyo cell

Return type:

moyopy.Cell

Contents