Source code for nannos.lattice

#!/usr/bin/env python
# -*- coding: utf-8 -*-
# Author: Benjamin Vial
# This file is part of nannos
# License: GPLv3
# See the documentation at nannos.gitlab.io

__all__ = ["Lattice"]

from . import backend as bk
from . import get_backend, get_types
from .constants import pi
from .geometry import *
from .layers import Layer
from .utils import is_scalar

FLOAT, COMPLEX = get_types()


[docs]class Lattice: """A lattice object defining the unit cell. Parameters ---------- basis_vectors : tuple The lattice vectors :math:`((u_x,u_y),(v_x,v_y))`. For mono-periodic gratings, specify the x-periodicity with a float `a`. discretization : int or tuple of length 2 Spatial discretization of the lattice. If given an integer N, the discretization will be (N, N). truncation : str The truncation method, available values are "circular" and "parallelogrammic" (the default is "circular"). This has no effect for mono-periodic gratings. harmonics_array : array of shape (2, nh) Array of harmonics. If specified, this is used instead of harmonics generated by the lattice object and nh is deduced from it. """ def __init__( self, basis_vectors, discretization=(2**8, 2**8), truncation="circular", harmonics_array=None, ): if is_scalar(discretization): discretization = [discretization, discretization] else: discretization = list(discretization) if truncation not in ["circular", "parallelogrammic"]: raise ValueError( f"Unknown truncation method '{truncation}', please choose between 'circular' and 'parallelogrammic'." ) self.is_1D = is_scalar(basis_vectors) if self.is_1D: self.truncation = "1D" self.basis_vectors = (basis_vectors, 0), (0, 1) self.discretization = (discretization[0], 1) else: self.truncation = truncation self.basis_vectors = basis_vectors self.discretization = tuple(discretization) self.harmonics_array = harmonics_array @property def area(self): if self.is_1D: return self.basis_vectors[0][0] v = self.basis_vectors return bk.linalg.norm(bk.cross(v[0], v[1])) @property def matrix(self): """Basis matrix. Returns ------- array like Matrix containing the lattice vectors (L1,L2). """ return bk.array(self.basis_vectors, dtype=FLOAT).T @property def reciprocal(self): """Reciprocal matrix. Returns ------- array like Matrix containing the lattice vectors (K1,K2) in reciprocal space. """ return 2 * pi * bk.linalg.inv(self.matrix).T
[docs] def get_harmonics(self, nh, sort=False): """Get the harmonics with a given truncation method. Parameters ---------- nh : int Number of harmonics. Returns ------- G : list of tuple of integers of length 2 Harmonics (i1, i2). nh : int The number of harmonics after truncation. """ harmonics, nh = self._get_harmonics(nh) if sort: srt = bk.argsort(harmonics[0]) return harmonics[:, srt], nh return harmonics, nh
def _get_harmonics(self, nh): if self.harmonics_array is not None: nh = bk.shape(self.harmonics_array)[1] return self.harmonics_array, nh if int(nh) != nh: raise ValueError("nh must be integer.") if self.truncation == "circular": return _circular_truncation(nh, self.reciprocal) elif self.truncation == "parallelogrammic": return _parallelogramic_truncation(nh, self.reciprocal) else: return _one_dim_truncation(nh) def no1d(func): def inner(self, *args, **kwargs): if self.is_1D: raise ValueError( f"Cannot use method {func.__name__} for 1D gratings, please use stripe" ) return func(self, *args, **kwargs) return inner @property def unit_grid(self): """Unit grid in cartesian coordinates. Returns ------- array like The unit grid of size equal to the attribute `discretization`. """ Nx, Ny = self.discretization x0 = bk.array(bk.linspace(0, 1.0, Nx)) y0 = bk.array(bk.linspace(0, 1.0, Ny)) x_, y_ = bk.meshgrid(x0, y0, indexing="ij") return bk.stack([x_, y_]) @property def grid(self): """Grid in lattice vectors basis. Returns ------- array like The grid of size equal to the attribute `discretization`. """ return self.transform(self.unit_grid)
[docs] def transform(self, grid): """Transform from cartesian to lattice coordinates. Parameters ---------- grid : tuple of array like Input grid, typically obtained by meshgrid. Returns ------- array like Transformed grid in lattice vectors basis. """ if get_backend() == "torch": return bk.tensordot(self.matrix, grid.double(), dims=([1], [0])) else: return bk.tensordot(self.matrix, grid, axes=(1, 0))
[docs] def ones(self): """Return a new array filled with ones. Returns ------- array like A uniform complex 2D array with shape ``self.discretization``. """ return bk.ones(self.discretization, dtype=COMPLEX)
[docs] def zeros(self): """Return a new array filled with zeros. Returns ------- array like A uniform complex 2D array with shape ``self.discretization``. """ return bk.zeros(self.discretization, dtype=COMPLEX)
[docs] def constant(self, value): """Return a new array filled with value. Returns ------- array like A uniform complex 2D array with shape ``self.discretization``. """ return self.ones() * value
[docs] def geometry_mask(self, geom): """Return a geametry boolean mask discretized on the lattice grid. Parameters ---------- geom : Shapely object The geometry. Returns ------- array of bool The shape mask. """ return geometry_mask(geom, self, *self.discretization)
@no1d def polygon(self, vertices): return polygon(vertices, self, *self.discretization) @no1d def circle(self, center, radius): return circle(center, radius, self, *self.discretization) @no1d def ellipse(self, center, radii, rotate=0): return ellipse(center, radii, self, *self.discretization, rotate=rotate) @no1d def square(self, center, width, rotate=0): return square(center, width, self, *self.discretization, rotate=rotate) @no1d def rectangle(self, center, widths, rotate=0): return rectangle(center, widths, self, *self.discretization, rotate=rotate) def stripe(self, center, width): return abs(self.grid[0] - center) <= width / 2 def Layer( self, name="layer", thickness=0, epsilon=1, mu=1, lattice=None, tangent_field=None, tangent_field_type="fft", ): return Layer( name, thickness, epsilon, mu, self, tangent_field, tangent_field_type, )
def _one_dim_truncation(nh): n = int((nh - 1) / 2) G = [(0, 0)] for i in range(1, n + 1): G.extend(((i, 0), (-i, 0))) return bk.array(G).T, len(G) def _parallelogramic_truncation(nh, Lk): u = bk.array([bk.linalg.norm(value) for value in Lk]) udot = bk.dot(Lk[0], Lk[1]) NGroot = int((nh) ** 0.5) if NGroot % 2 == 0: NGroot -= 1 M = NGroot // 2 xG = bk.array(bk.arange(-M, NGroot - M)) G = bk.meshgrid(xG, xG, indexing="ij") G = [g.flatten() for g in G] Gl2 = G[0] ** 2 * u[0] ** 2 + G[1] ** 2 * u[0] ** 2 + 2 * G[0] * G[1] * udot jsort = bk.argsort(Gl2) Gsorted = [g[jsort] for g in G] nh = NGroot**2 G = bk.vstack(Gsorted)[:, :nh] return G, nh def _circular_truncation(nh, Lk): u = bk.array([bk.linalg.norm(value) for value in Lk]) udot = bk.dot(Lk[0], Lk[1]) ucross = bk.array(Lk[0][0] * Lk[1][1] - Lk[0][1] * Lk[1][0]) circ_area = nh * bk.abs(ucross) circ_radius = bk.sqrt(circ_area / pi) + u[0] + u[1] _int = int if get_backend() == "torch" else bk.int32 u_extent = bk.array( [ 1 + _int(circ_radius / (q * bk.sqrt(1.0 - udot**2 / (u[0] * u[1]) ** 2))) for q in u ] ) xG, yG = [bk.array(bk.arange(-q, q + 1)) for q in u_extent] G = bk.meshgrid(xG, yG, indexing="ij") G = [g.flatten() for g in G] Gl2 = bk.array( G[0] ** 2 * u[0] ** 2 + G[1] ** 2 * u[0] ** 2 + 2 * G[0] * G[1] * udot ) jsort = bk.argsort(Gl2) Gsorted = [g[jsort] for g in G] Gl2 = Gl2[jsort] nGtmp = (2 * u_extent[0] + 1) * (2 * u_extent[1] + 1) if nh < nGtmp: nGtmp = nh tol = 1e-10 * max(u[0] ** 2, u[1] ** 2) for i in bk.arange(nGtmp - 1, -1, -1): if bk.abs(Gl2[i] - Gl2[i - 1]) > tol: break nh = i G = bk.vstack(Gsorted)[:, :nh] return G, nh