import numpy as np from typing import Sequence, Tuple, Union def calculate_periodic_indices( key: Tuple[Union[int, slice], Union[int, slice]], structure: Tuple[Tuple[int, ...], ...], real_ix: int, real_iy: int, ) -> Sequence[Sequence[int]]: """ Get indices according to unit cell structure. Args: key (:obj:`tuple` of 2 :obj:`int` or :obj:`slice` elements): x and y coordinates to select. Can be either integers or slices. Negative numbers as selectors are supported. structure (2d :obj:`jax.numpy.ndarray`): Two dimensional array modeling the structure of the unit cell. For details see the description of :obj:`~varipeps.peps.PEPS_Unit_Cell`. real_ix (:obj:`int`): Which real x index of structure correspond to x = 0. real_iy (:obj:`int`): Which real y index of structure correspond to y = 0. Returns: :term:`sequence` of :term:`sequence` of :obj:`int`: 2d sequence with the indices of the selected objects. """ if not isinstance(key, tuple) or not len(key) == 2: raise TypeError("Expect a tuple with coordinates x and y.") x, y = key if isinstance(x, int): x = slice(x, x + 1, None) if isinstance(y, int): y = slice(y, y + 1, None) if not isinstance(x, slice) or not isinstance(y, slice): raise TypeError("Key elements have to be integers or slices.") unit_cell_len_x = len(structure) unit_cell_len_y = len(structure[0]) if x.start is not None and x.start < 0: shift = (-x.start // unit_cell_len_x + 1) * unit_cell_len_x x = slice(x.start + shift, x.stop + shift, x.step) if x.start is None and x.stop < 0: x = slice(None, x.stop + unit_cell_len_x, x.step) if y.start is not None and y.start < 0: shift = (-y.start // unit_cell_len_y + 1) * unit_cell_len_y y = slice(y.start + shift, y.stop + shift, y.step) if y.start is None and y.stop < 0: y = slice(None, y.stop + unit_cell_len_y, y.step) xarr = np.arange( x.start or 0, x.stop if x.stop is not None else unit_cell_len_x, x.step ) yarr = np.arange( y.start or 0, y.stop if y.stop is not None else unit_cell_len_y, y.step ) xarr = (real_ix + xarr) % unit_cell_len_x yarr = (real_iy + yarr) % unit_cell_len_y return tuple(tuple(structure[xi][yi] for yi in yarr) for xi in xarr)