enable numpy 2.0 and recent scipy

examples/fdtd.py

@@ -157,7 +157,8 @@ def main():
         e[1][tuple(grid.shape//2)] += field_source(t)
         update_H(e, h)
 
-        print('iteration {}: average {} iterations per sec'.format(t, (t+1)/(time.perf_counter()-start)))
+        avg_rate = (t + 1)/(time.perf_counter() - start))
+        print(f'iteration {t}: average {avg_rate} iterations per sec')
         sys.stdout.flush()
 
         if t % 20 == 0:

examples/tcyl.py

@@ -3,7 +3,7 @@ import numpy
 from numpy.linalg import norm
 
 from meanas.fdmath import vec, unvec
-from meanas.fdfd import waveguide_mode, functional, scpml
+from meanas.fdfd import waveguide_cyl, functional, scpml
 from meanas.fdfd.solvers import generic as generic_solver
 
 import gridlock
@@ -44,22 +44,27 @@ def test1(solver=generic_solver):
     # #### Create the grid and draw the device ####
     grid = gridlock.Grid(edge_coords)
     epsilon = grid.allocate(n_air**2, dtype=numpy.float32)
-    grid.draw_cuboid(epsilon, center=center, dimensions=[8e3, w, th], eps=n_wg**2)
+    grid.draw_cuboid(epsilon, center=center, dimensions=[8e3, w, th], foreground=n_wg**2)
 
     dxes = [grid.dxyz, grid.autoshifted_dxyz()]
     for a in (1, 2):
         for p in (-1, 1):
-            dxes = scmpl.stretch_with_scpml(dxes, omega=omega, axis=a, polarity=p,
-                                            thickness=pml_thickness)
+            dxes = scpml.stretch_with_scpml(
+                dxes,
+                omega=omega,
+                axis=a,
+                polarity=p,
+                thickness=pml_thickness,
+                )
 
     wg_args = {
         'omega': omega,
         'dxes': [(d[1], d[2]) for d in dxes],
-        'epsilon': vec(g.transpose([1, 2, 0]) for g in epsilon),
+        'epsilon': vec(epsilon.transpose([0, 2, 3, 1])),
         'r0': r0,
     }
 
-    wg_results = waveguide_mode.solve_waveguide_mode_cylindrical(mode_number=0, **wg_args)
+    wg_results = waveguide_cyl.solve_mode(mode_number=0, **wg_args)
 
     E = wg_results['E']
 
@@ -70,20 +75,17 @@ def test1(solver=generic_solver):
     '''
     Plot results
     '''
-    def pcolor(v):
+    def pcolor(fig, ax, v, title):
         vmax = numpy.max(numpy.abs(v))
-        pyplot.pcolor(v.T, cmap='seismic', vmin=-vmax, vmax=vmax)
-        pyplot.axis('equal')
-        pyplot.colorbar()
+        mappable = ax.pcolormesh(v.T, cmap='seismic', vmin=-vmax, vmax=vmax)
+        ax.set_aspect('equal', adjustable='box')
+        ax.set_title(title)
+        ax.figure.colorbar(mappable)
 
-    pyplot.figure()
-    pyplot.subplot(2, 2, 1)
-    pcolor(numpy.real(E[0][:, :]))
-    pyplot.subplot(2, 2, 2)
-    pcolor(numpy.real(E[1][:, :]))
-    pyplot.subplot(2, 2, 3)
-    pcolor(numpy.real(E[2][:, :]))
-    pyplot.subplot(2, 2, 4)
+    fig, axes = pyplot.subplots(2, 2)
+    pcolor(fig, axes[0][0], numpy.real(E[0]), 'Ex')
+    pcolor(fig, axes[0][1], numpy.real(E[1]), 'Ey')
+    pcolor(fig, axes[1][0], numpy.real(E[2]), 'Ez')
     pyplot.show()
 
 

meanas/__init__.py

@@ -11,7 +11,8 @@ __author__ = 'Jan Petykiewicz'
 
 
 try:
-    with open(pathlib.Path(__file__).parent / 'README.md', 'r') as f:
+    readme_path = pathlib.Path(__file__).parent / 'README.md'
+    with readme_path.open('r') as f:
         __doc__ = f.read()
 except Exception:
     pass

meanas/eigensolvers.py

@@ -1,12 +1,12 @@
 """
 Solvers for eigenvalue / eigenvector problems
 """
-from typing import Callable
+from collections.abc import Callable
 import numpy
 from numpy.typing import NDArray, ArrayLike
 from numpy.linalg import norm
-from scipy import sparse              # type: ignore
-import scipy.sparse.linalg as spalg   # type: ignore
+from scipy import sparse
+import scipy.sparse.linalg as spalg
 
 
 def power_iteration(
@@ -25,8 +25,9 @@ def power_iteration(
     Returns:
         (Largest-magnitude eigenvalue, Corresponding eigenvector estimate)
     """
+    rng = numpy.random.default_rng()
     if guess_vector is None:
-        v = numpy.random.rand(operator.shape[0]) + 1j * numpy.random.rand(operator.shape[0])
+        v = rng.random(operator.shape[0]) + 1j * rng.random(operator.shape[0])
     else:
         v = guess_vector
 

meanas/fdfd/__init__.py

@@ -91,5 +91,12 @@ $$
 
 
 """
-from . import solvers, operators, functional, scpml, waveguide_2d, waveguide_3d
+from . import (
+    solvers as solvers,
+    operators as operators,
+    functional as functional,
+    scpml as scpml,
+    waveguide_2d as waveguide_2d,
+    waveguide_3d as waveguide_3d,
+    )
 # from . import farfield, bloch TODO

meanas/fdfd/bloch.py

@@ -94,16 +94,17 @@ This module contains functions for generating and solving the
 
 """
 
-from typing import Callable, Any, cast, Sequence
+from typing import Any, cast
+from collections.abc import Callable, Sequence
 import logging
 import numpy
 from numpy import pi, real, trace
 from numpy.fft import fftfreq
 from numpy.typing import NDArray, ArrayLike
-import scipy                            # type: ignore
-import scipy.optimize                   # type: ignore
-from scipy.linalg import norm           # type: ignore
-import scipy.sparse.linalg as spalg     # type: ignore
+import scipy
+import scipy.optimize
+from scipy.linalg import norm
+import scipy.sparse.linalg as spalg
 
 from ..fdmath import fdfield_t, cfdfield_t
 
@@ -114,7 +115,6 @@ logger = logging.getLogger(__name__)
 try:
     import pyfftw.interfaces.numpy_fft  # type: ignore
     import pyfftw.interfaces            # type: ignore
-    import multiprocessing
     logger.info('Using pyfftw')
 
     pyfftw.interfaces.cache.enable()
@@ -155,7 +155,7 @@ def generate_kmn(
             All are given in the xyz basis (e.g. `|k|[0,0,0] = norm(G_matrix @ k0)`).
     """
     k0 = numpy.array(k0)
-    G_matrix = numpy.array(G_matrix, copy=False)
+    G_matrix = numpy.asarray(G_matrix)
 
     Gi_grids = numpy.array(numpy.meshgrid(*(fftfreq(n, 1 / n) for n in shape[:3]), indexing='ij'))
     Gi = numpy.moveaxis(Gi_grids, 0, -1)
@@ -232,7 +232,7 @@ def maxwell_operator(
             Raveled conv(1/mu_k, ik x conv(1/eps_k, ik x h_mn)), returned
             and overwritten in-place of `h`.
         """
-        hin_m, hin_n = [hi.reshape(shape) for hi in numpy.split(h, 2)]
+        hin_m, hin_n = (hi.reshape(shape) for hi in numpy.split(h, 2))
 
         #{d,e,h}_xyz fields are complex 3-fields in (1/x, 1/y, 1/z) basis
 
@@ -303,12 +303,12 @@ def hmn_2_exyz(
     k_mag, m, n = generate_kmn(k0, G_matrix, shape)
 
     def operator(h: NDArray[numpy.complex128]) -> cfdfield_t:
-        hin_m, hin_n = [hi.reshape(shape) for hi in numpy.split(h, 2)]
+        hin_m, hin_n = (hi.reshape(shape) for hi in numpy.split(h, 2))
         d_xyz = (n * hin_m
                - m * hin_n) * k_mag         # noqa: E128
 
         # divide by epsilon
-        return numpy.array([ei for ei in numpy.moveaxis(ifftn(d_xyz, axes=range(3)) / epsilon, 3, 0)])         # TODO avoid copy
+        return numpy.moveaxis(ifftn(d_xyz, axes=range(3)) / epsilon, 3, 0)
 
     return operator
 
@@ -341,7 +341,7 @@ def hmn_2_hxyz(
     _k_mag, m, n = generate_kmn(k0, G_matrix, shape)
 
     def operator(h: NDArray[numpy.complex128]) -> cfdfield_t:
-        hin_m, hin_n = [hi.reshape(shape) for hi in numpy.split(h, 2)]
+        hin_m, hin_n = (hi.reshape(shape) for hi in numpy.split(h, 2))
         h_xyz = (m * hin_m
                + n * hin_n)     # noqa: E128
         return numpy.array([ifftn(hi) for hi in numpy.moveaxis(h_xyz, 3, 0)])
@@ -394,7 +394,7 @@ def inverse_maxwell_operator_approx(
         Returns:
             Raveled ik x conv(eps_k, ik x conv(mu_k, h_mn))
         """
-        hin_m, hin_n = [hi.reshape(shape) for hi in numpy.split(h, 2)]
+        hin_m, hin_n = (hi.reshape(shape) for hi in numpy.split(h, 2))
 
         #{d,e,h}_xyz fields are complex 3-fields in (1/x, 1/y, 1/z) basis
 
@@ -538,7 +538,7 @@ def eigsolve(
         `(eigenvalues, eigenvectors)` where `eigenvalues[i]` corresponds to the
         vector `eigenvectors[i, :]`
     """
-    k0 = numpy.array(k0, copy=False)
+    k0 = numpy.asarray(k0)
 
     h_size = 2 * epsilon[0].size
 
@@ -561,11 +561,12 @@ def eigsolve(
     prev_theta = 0.5
     D = numpy.zeros(shape=y_shape, dtype=complex)
 
+    rng = numpy.random.default_rng()
     Z: NDArray[numpy.complex128]
     if y0 is None:
-        Z = numpy.random.rand(*y_shape) + 1j * numpy.random.rand(*y_shape)
+        Z = rng.random(y_shape) + 1j * rng.random(y_shape)
     else:
-        Z = numpy.array(y0, copy=False).T
+        Z = numpy.asarray(y0).T
 
     while True:
         Z *= num_modes / norm(Z)
@@ -573,7 +574,7 @@ def eigsolve(
         try:
             U = numpy.linalg.inv(ZtZ)
         except numpy.linalg.LinAlgError:
-            Z = numpy.random.rand(*y_shape) + 1j * numpy.random.rand(*y_shape)
+            Z = rng.random(y_shape) + 1j * rng.random(y_shape)
             continue
 
         trace_U = real(trace(U))
@@ -646,8 +647,7 @@ def eigsolve(
 
         Qi_memo: list[float | None] = [None, None]
 
-        def Qi_func(theta: float) -> float:
-            nonlocal Qi_memo
+        def Qi_func(theta: float, Qi_memo=Qi_memo, ZtZ=ZtZ, DtD=DtD, symZtD=symZtD) -> float:   # noqa: ANN001
             if Qi_memo[0] == theta:
                 return cast(float, Qi_memo[1])
 
@@ -656,7 +656,7 @@ def eigsolve(
             Q = c * c * ZtZ + s * s * DtD + 2 * s * c * symZtD
             try:
                 Qi = numpy.linalg.inv(Q)
-            except numpy.linalg.LinAlgError:
+            except numpy.linalg.LinAlgError as err:
                 logger.info('taylor Qi')
                 # if c or s small, taylor expand
                 if c < 1e-4 * s and c != 0:
@@ -666,12 +666,12 @@ def eigsolve(
                     ZtZi = numpy.linalg.inv(ZtZ)
                     Qi = ZtZi / (c * c) - 2 * s / (c * c * c) * (ZtZi @ (ZtZi @ symZtD).conj().T)
                 else:
-                    raise Exception('Inexplicable singularity in trace_func')
+                    raise Exception('Inexplicable singularity in trace_func') from err
             Qi_memo[0] = theta
             Qi_memo[1] = cast(float, Qi)
             return cast(float, Qi)
 
-        def trace_func(theta: float) -> float:
+        def trace_func(theta: float, ZtAZ=ZtAZ, DtAD=DtAD, symZtAD=symZtAD) -> float:           # noqa: ANN001
             c = numpy.cos(theta)
             s = numpy.sin(theta)
             Qi = Qi_func(theta)
@@ -680,7 +680,7 @@ def eigsolve(
             return numpy.abs(trace)
 
         if False:
-            def trace_deriv(theta):
+            def trace_deriv(theta, sgn: int = sgn, ZtAZ=ZtAZ, DtAD=DtAD, symZtD=symZtD, symZtAD=symZtAD, ZtZ=ZtZ, DtD=DtD):     # noqa: ANN001
                 Qi = Qi_func(theta)
                 c2 = numpy.cos(2 * theta)
                 s2 = numpy.sin(2 * theta)
@@ -696,12 +696,12 @@ def eigsolve(
 
             U_sZtD = U @ symZtD
 
-            dE = 2.0 * (_rtrace_AtB(U, symZtAD) -
-                        _rtrace_AtB(ZtAZU, U_sZtD))
+            dE = 2.0 * (_rtrace_AtB(U, symZtAD)
+                        - _rtrace_AtB(ZtAZU, U_sZtD))
 
-            d2E = 2 * (_rtrace_AtB(U, DtAD) -
-                       _rtrace_AtB(ZtAZU, U @ (DtD - 4 * symZtD @ U_sZtD)) -
-                   4 * _rtrace_AtB(U, symZtAD @ U_sZtD))
+            d2E = 2 * (_rtrace_AtB(U, DtAD)
+                       - _rtrace_AtB(ZtAZU, U @ (DtD - 4 * symZtD @ U_sZtD))
+                       - 4 * _rtrace_AtB(U, symZtAD @ U_sZtD))
 
             # Newton-Raphson to find a root of the first derivative:
             theta = -dE / d2E
@@ -781,7 +781,7 @@ def linmin(x_guess, f0, df0, x_max, f_tol=0.1, df_tol=min(tolerance, 1e-6), x_to
                                           x_min, x_max, isave, dsave)
         for i in range(int(1e6)):
             if task != 'F':
-                logging.info('search converged in {} iterations'.format(i))
+                logging.info(f'search converged in {i} iterations')
                 break
             fx = f(x, dfx)
             x, fx, dfx, task = minpack2.dsrch(x, fx, dfx, f_tol, df_tol, x_tol, task,

meanas/fdfd/farfield.py

@@ -1,7 +1,8 @@
 """
 Functions for performing near-to-farfield transformation (and the reverse).
 """
-from typing import Any, Sequence, cast
+from typing import Any, cast
+from collections.abc import Sequence
 import numpy
 from numpy.fft import fft2, fftshift, fftfreq, ifft2, ifftshift
 from numpy import pi

meanas/fdfd/functional.py

@@ -5,7 +5,7 @@ Functional versions of many FDFD operators. These can be useful for performing
 The functions generated here expect `cfdfield_t` inputs with shape (3, X, Y, Z),
 e.g. E = [E_x, E_y, E_z] where each (complex) component has shape (X, Y, Z)
 """
-from typing import Callable
+from collections.abc import Callable
 import numpy
 
 from ..fdmath import dx_lists_t, fdfield_t, cfdfield_t, cfdfield_updater_t
@@ -47,7 +47,6 @@ def e_full(
 
     if mu is None:
         return op_1
-    else:
     return op_mu
 
 
@@ -84,7 +83,6 @@ def eh_full(
 
     if mu is None:
         return op_1
-    else:
     return op_mu
 
 
@@ -116,7 +114,6 @@ def e2h(
 
     if mu is None:
         return e2h_1_1
-    else:
     return e2h_mu
 
 
@@ -151,7 +148,6 @@ def m2j(
 
     if mu is None:
         return m2j_1
-    else:
     return m2j_mu
 
 

meanas/fdfd/operators.py

@@ -28,7 +28,7 @@ The following operators are included:
 """
 
 import numpy
-import scipy.sparse as sparse       # type: ignore
+from scipy import sparse
 
 from ..fdmath import vec, dx_lists_t, vfdfield_t, vcfdfield_t
 from ..fdmath.operators import shift_with_mirror, shift_circ, curl_forward, curl_back
@@ -321,11 +321,11 @@ def poynting_e_cross(e: vcfdfield_t, dxes: dx_lists_t) -> sparse.spmatrix:
     """
     shape = [len(dx) for dx in dxes[0]]
 
-    fx, fy, fz = [shift_circ(i, shape, 1) for i in range(3)]
+    fx, fy, fz = (shift_circ(i, shape, 1) for i in range(3))
 
     dxag = [dx.ravel(order='C') for dx in numpy.meshgrid(*dxes[0], indexing='ij')]
     dxbg = [dx.ravel(order='C') for dx in numpy.meshgrid(*dxes[1], indexing='ij')]
-    Ex, Ey, Ez = [ei * da for ei, da in zip(numpy.split(e, 3), dxag)]
+    Ex, Ey, Ez = (ei * da for ei, da in zip(numpy.split(e, 3), dxag, strict=True))
 
     block_diags = [[ None,     fx @ -Ez, fx @  Ey],
                    [ fy @  Ez, None,     fy @ -Ex],
@@ -349,11 +349,11 @@ def poynting_h_cross(h: vcfdfield_t, dxes: dx_lists_t) -> sparse.spmatrix:
     """
     shape = [len(dx) for dx in dxes[0]]
 
-    fx, fy, fz = [shift_circ(i, shape, 1) for i in range(3)]
+    fx, fy, fz = (shift_circ(i, shape, 1) for i in range(3))
 
     dxag = [dx.ravel(order='C') for dx in numpy.meshgrid(*dxes[0], indexing='ij')]
     dxbg = [dx.ravel(order='C') for dx in numpy.meshgrid(*dxes[1], indexing='ij')]
-    Hx, Hy, Hz = [sparse.diags(hi * db) for hi, db in zip(numpy.split(h, 3), dxbg)]
+    Hx, Hy, Hz = (sparse.diags(hi * db) for hi, db in zip(numpy.split(h, 3), dxbg, strict=True))
 
     P = (sparse.bmat(
         [[ None,    -Hz @ fx,   Hy @ fx],

meanas/fdfd/scpml.py

@@ -2,7 +2,7 @@
 Functions for creating stretched coordinate perfectly matched layer (PML) absorbers.
 """
 
-from typing import Sequence, Callable
+from collections.abc import Sequence, Callable
 
 import numpy
 from numpy.typing import NDArray

meanas/fdfd/solvers.py

@@ -2,13 +2,14 @@
 Solvers and solver interface for FDFD problems.
 """
 
-from typing import Callable, Dict, Any, Optional
+from typing import Any
+from collections.abc import Callable
 import logging
 
 import numpy
 from numpy.typing import ArrayLike, NDArray
 from numpy.linalg import norm
-import scipy.sparse.linalg          # type: ignore
+import scipy.sparse.linalg
 
 from ..fdmath import dx_lists_t, vfdfield_t, vcfdfield_t
 from . import operators
@@ -43,7 +44,8 @@ def _scipy_qmr(
         nonlocal ii
         ii += 1
         if ii % 100 == 0:
-            logger.info('Solver residual at iteration {} : {}'.format(ii, norm(A @ xk - b)))
+            cur_norm = norm(A @ xk - b)
+            logger.info(f'Solver residual at iteration {ii} : {cur_norm}')
 
     if 'callback' in kwargs:
         def augmented_callback(xk: ArrayLike) -> None:
@@ -67,12 +69,12 @@ def generic(
         dxes: dx_lists_t,
         J: vcfdfield_t,
         epsilon: vfdfield_t,
-        mu: Optional[vfdfield_t] = None,
-        pec: Optional[vfdfield_t] = None,
-        pmc: Optional[vfdfield_t] = None,
+        mu: vfdfield_t | None = None,
+        pec: vfdfield_t | None = None,
+        pmc: vfdfield_t | None = None,
         adjoint: bool = False,
         matrix_solver: Callable[..., ArrayLike] = _scipy_qmr,
-        matrix_solver_opts: Optional[Dict[str, Any]] = None,
+        matrix_solver_opts: dict[str, Any] | None = None,
         ) -> vcfdfield_t:
     """
     Conjugate gradient FDFD solver using CSR sparse matrices.

meanas/fdfd/waveguide_2d.py

@@ -182,10 +182,10 @@ from typing import Any
 import numpy
 from numpy.typing import NDArray, ArrayLike
 from numpy.linalg import norm
-import scipy.sparse as sparse       # type: ignore
+from scipy import sparse
 
 from ..fdmath.operators import deriv_forward, deriv_back, cross
-from ..fdmath import unvec, dx_lists_t, vfdfield_t, vcfdfield_t
+from ..fdmath import vec, unvec, dx_lists_t, vfdfield_t, vcfdfield_t
 from ..eigensolvers import signed_eigensolve, rayleigh_quotient_iteration
 
 
@@ -253,7 +253,8 @@ def operator_e(
     mu_yx = sparse.diags(numpy.hstack((mu_parts[1], mu_parts[0])))
     mu_z_inv = sparse.diags(1 / mu_parts[2])
 
-    op = (omega * omega * mu_yx @ eps_xy
+    op = (
+        omega * omega * mu_yx @ eps_xy
         + mu_yx @ sparse.vstack((-Dby, Dbx)) @ mu_z_inv @ sparse.hstack((-Dfy, Dfx))
         + sparse.vstack((Dfx, Dfy)) @ eps_z_inv @ sparse.hstack((Dbx, Dby)) @ eps_xy
         )
@@ -321,7 +322,8 @@ def operator_h(
     mu_xy = sparse.diags(numpy.hstack((mu_parts[0], mu_parts[1])))
     mu_z_inv = sparse.diags(1 / mu_parts[2])
 
-    op = (omega * omega * eps_yx @ mu_xy
+    op = (
+        omega * omega * eps_yx @ mu_xy
         + eps_yx @ sparse.vstack((-Dfy, Dfx)) @ eps_z_inv @ sparse.hstack((-Dby, Dbx))
         + sparse.vstack((Dbx, Dby)) @ mu_z_inv @ sparse.hstack((Dfx, Dfy)) @ mu_xy
         )
@@ -420,7 +422,7 @@ def _normalized_fields(
     Sz_a = E[0] * numpy.conj(H[1] * phase) * dxes_real[0][1] * dxes_real[1][0]
     Sz_b = E[1] * numpy.conj(H[0] * phase) * dxes_real[0][0] * dxes_real[1][1]
     Sz_tavg = numpy.real(Sz_a.sum() - Sz_b.sum()) * 0.5       # 0.5 since E, H are assumed to be peak (not RMS) amplitudes
-    assert Sz_tavg > 0, 'Found a mode propagating in the wrong direction! Sz_tavg={}'.format(Sz_tavg)
+    assert Sz_tavg > 0, f'Found a mode propagating in the wrong direction! {Sz_tavg=}'
 
     energy = epsilon * e.conj() * e
 
@@ -718,6 +720,109 @@ def e_err(
     return float(norm(op) / norm(e))
 
 
+def sensitivity(
+        e_norm: vcfdfield_t,
+        h_norm: vcfdfield_t,
+        wavenumber: complex,
+        omega: complex,
+        dxes: dx_lists_t,
+        epsilon: vfdfield_t,
+        mu: vfdfield_t | None = None,
+        ) -> vcfdfield_t:
+    r"""
+      Given a waveguide structure (`dxes`, `epsilon`, `mu`) and mode fields
+    (`e_norm`, `h_norm`, `wavenumber`, `omega`), calculates the sensitivity of the wavenumber
+    $\beta$ to changes in the dielectric structure $\epsilon$.
+
+    The output is a vector of the same size as `vec(epsilon)`, with each element specifying the
+    sensitivity of `wavenumber` to changes in the corresponding element in `vec(epsilon)`, i.e.
+
+    $$sens_{i} = \frac{\partial\beta}{\partial\epsilon_i}$$
+
+    An adjoint approach is used to calculate the sensitivity; the derivation is provided here:
+
+    Starting with the eigenvalue equation
+
+    $$\beta^2 E_{xy} = A_E E_{xy}$$
+
+    where $A_E$ is the waveguide operator from `operator_e()`, and $E_{xy} = \begin{bmatrix} E_x \\
+                                                                                             E_y \end{bmatrix}$,
+    we can differentiate with respect to one of the $\epsilon$ elements (i.e. at one Yee grid point), $\epsilon_i$:
+
+    $$
+    (2 \beta) \partial_{\epsilon_i}(\beta) E_{xy} + \beta^2 \partial_{\epsilon_i} E_{xy}
+        = \partial_{\epsilon_i}(A_E) E_{xy} + A_E \partial_{\epsilon_i} E_{xy}
+    $$
+
+    We then multiply by $H_{yx}^\star = \begin{bmatrix}H_y^\star \\ -H_x^\star \end{bmatrix}$ from the left:
+
+    $$
+    (2 \beta) \partial_{\epsilon_i}(\beta) H_{yx}^\star E_{xy} + \beta^2 H_{yx}^\star \partial_{\epsilon_i} E_{xy}
+        = H_{yx}^\star \partial_{\epsilon_i}(A_E) E_{xy} + H_{yx}^\star A_E \partial_{\epsilon_i} E_{xy}
+    $$
+
+    However, $H_{yx}^\star$ is actually a left-eigenvector of $A_E$. This can be verified by inspecting
+    the form of `operator_h` ($A_H$) and comparing its conjugate transpose to `operator_e` ($A_E$). Also, note
+    $H_{yx}^\star \cdot E_{xy} = H^\star \times E$ recalls the mode orthogonality relation. See doi:10.5194/ars-9-85-201
+    for a similar approach. Therefore,
+
+    $$
+    H_{yx}^\star A_E \partial_{\epsilon_i} E_{xy} = \beta^2 H_{yx}^\star \partial_{\epsilon_i} E_{xy}
+    $$
+
+    and we can simplify to
+
+    $$
+    \partial_{\epsilon_i}(\beta)
+        = \frac{1}{2 \beta} \frac{H_{yx}^\star \partial_{\epsilon_i}(A_E) E_{xy} }{H_{yx}^\star E_{xy}}
+    $$
+
+    This expression can be quickly calculated for all $i$ by writing out the various terms of
+    $\partial_{\epsilon_i} A_E$ and recognizing that the vector-matrix-vector products (i.e. scalars)
+    $sens_i = \vec{v}_{left} \partial_{\epsilon_i} (\epsilon_{xyz}) \vec{v}_{right}$, indexed by $i$, can be expressed as
+    elementwise multiplications $\vec{sens} = \vec{v}_{left} \star \vec{v}_{right}$
+
+
+    Args:
+        e_norm: Normalized, vectorized E_xyz field for the mode. E.g. as returned by `normalized_fields_e`.
+        h_norm: Normalized, vectorized H_xyz field for the mode. E.g. as returned by `normalized_fields_e`.
+        wavenumber: Propagation constant for the mode. The z-axis is assumed to be continuous (i.e. without numerical dispersion).
+        omega: The angular frequency of the system.
+        dxes: Grid parameters `[dx_e, dx_h]` as described in `meanas.fdmath.types` (2D)
+        epsilon: Vectorized dielectric constant grid
+        mu: Vectorized magnetic permeability grid (default 1 everywhere)
+
+    Returns:
+        Sparse matrix representation of the operator.
+    """
+    if mu is None:
+        mu = numpy.ones_like(epsilon)
+
+    Dfx, Dfy = deriv_forward(dxes[0])
+    Dbx, Dby = deriv_back(dxes[1])
+
+    eps_x, eps_y, eps_z = numpy.split(epsilon, 3)
+    eps_xy = sparse.diags(numpy.hstack((eps_x, eps_y)))
+    eps_z_inv = sparse.diags(1 / eps_z)
+
+    mu_x, mu_y, _mu_z = numpy.split(mu, 3)
+    mu_yx = sparse.diags(numpy.hstack((mu_y, mu_x)))
+
+    da_exxhyy = vec(dxes[1][0][:, None] * dxes[0][1][None, :])
+    da_eyyhxx = vec(dxes[1][1][None, :] * dxes[0][0][:, None])
+    ev_xy = numpy.concatenate(numpy.split(e_norm, 3)[:2]) * numpy.concatenate([da_exxhyy, da_eyyhxx])
+    hx, hy, hz = numpy.split(h_norm, 3)
+    hv_yx_conj = numpy.conj(numpy.concatenate([hy, -hx]))
+
+    sens_xy1 = (hv_yx_conj @ (omega * omega * mu_yx)) * ev_xy
+    sens_xy2 = (hv_yx_conj @ sparse.vstack((Dfx, Dfy)) @ eps_z_inv @ sparse.hstack((Dbx, Dby))) * ev_xy
+    sens_z   = (hv_yx_conj @ sparse.vstack((Dfx, Dfy)) @ (-eps_z_inv * eps_z_inv)) * (sparse.hstack((Dbx, Dby)) @ eps_xy @ ev_xy)
+    norm = hv_yx_conj @ ev_xy
+
+    sens_tot = numpy.concatenate([sens_xy1 + sens_xy2, sens_z]) / (2 * wavenumber * norm)
+    return sens_tot
+
+
 def solve_modes(
         mode_numbers: list[int],
         omega: complex,

meanas/fdfd/waveguide_3d.py

@@ -4,9 +4,11 @@ Tools for working with waveguide modes in 3D domains.
 This module relies heavily on `waveguide_2d` and mostly just transforms
 its parameters into 2D equivalents and expands the results back into 3D.
 """
-from typing import Sequence, Any
+from typing import Any
+from collections.abc import Sequence
 import numpy
 from numpy.typing import NDArray
+from numpy import complexfloating
 
 from ..fdmath import vec, unvec, dx_lists_t, fdfield_t, cfdfield_t
 from . import operators, waveguide_2d
@@ -21,7 +23,7 @@ def solve_mode(
         slices: Sequence[slice],
         epsilon: fdfield_t,
         mu: fdfield_t | None = None,
-        ) -> dict[str, complex | NDArray[numpy.float_]]:
+        ) -> dict[str, complex | NDArray[complexfloating]]:
     """
     Given a 3D grid, selects a slice from the grid and attempts to
      solve for an eigenmode propagating through that slice.
@@ -40,8 +42,8 @@ def solve_mode(
     Returns:
         ```
         {
-            'E': list[NDArray[numpy.float_]],
-            'H': list[NDArray[numpy.float_]],
+            'E': NDArray[complexfloating],
+            'H': NDArray[complexfloating],
             'wavenumber': complex,
         }
         ```

meanas/fdfd/waveguide_cyl.py

@@ -9,9 +9,9 @@ As the z-dependence is known, all the functions in this file assume a 2D grid
 # TODO update module docs
 
 import numpy
-import scipy.sparse as sparse       # type: ignore
+from scipy import sparse
 
-from ..fdmath import vec, unvec, dx_lists_t, fdfield_t, vfdfield_t, cfdfield_t
+from ..fdmath import vec, unvec, dx_lists_t, vfdfield_t, cfdfield_t
 from ..fdmath.operators import deriv_forward, deriv_back
 from ..eigensolvers import signed_eigensolve, rayleigh_quotient_iteration
 
@@ -25,6 +25,9 @@ def cylindrical_operator(
     """
     Cylindrical coordinate waveguide operator of the form
 
+    (NOTE: See 10.1364/OL.33.001848)
+    TODO: consider 10.1364/OE.20.021583
+
     TODO
 
     for use with a field vector of the form `[E_r, E_y]`.

meanas/fdmath/__init__.py

@@ -741,8 +741,24 @@ the true values can be multiplied back in after the simulation is complete if no
 normalized results are needed.
 """
 
-from .types import fdfield_t, vfdfield_t, cfdfield_t, vcfdfield_t, dx_lists_t, dx_lists_mut
-from .types import fdfield_updater_t, cfdfield_updater_t
-from .vectorization import vec, unvec
-from . import operators, functional, types, vectorization
+from .types import (
+    fdfield_t as fdfield_t,
+    vfdfield_t as vfdfield_t,
+    cfdfield_t as cfdfield_t,
+    vcfdfield_t as vcfdfield_t,
+    dx_lists_t as dx_lists_t,
+    dx_lists_mut as dx_lists_mut,
+    fdfield_updater_t as fdfield_updater_t,
+    cfdfield_updater_t as cfdfield_updater_t,
+    )
+from .vectorization import (
+    vec as vec,
+    unvec as unvec,
+    )
+from . import (
+    operators as operators,
+    functional as functional,
+    types as types,
+    vectorization as vectorization,
+    )
 

meanas/fdmath/functional.py

@@ -3,16 +3,18 @@ Math functions for finite difference simulations
 
 Basic discrete calculus etc.
 """
-from typing import Sequence, Callable
+from typing import TypeVar
+from collections.abc import Sequence, Callable
 
 import numpy
 from numpy.typing import NDArray
+from numpy import floating, complexfloating
 
 from .types import fdfield_t, fdfield_updater_t
 
 
 def deriv_forward(
-        dx_e: Sequence[NDArray[numpy.float_]] | None = None,
+        dx_e: Sequence[NDArray[floating]] | None = None,
         ) -> tuple[fdfield_updater_t, fdfield_updater_t, fdfield_updater_t]:
     """
     Utility operators for taking discretized derivatives (backward variant).
@@ -36,7 +38,7 @@ def deriv_forward(
 
 
 def deriv_back(
-        dx_h: Sequence[NDArray[numpy.float_]] | None = None,
+        dx_h: Sequence[NDArray[floating]] | None = None,
         ) -> tuple[fdfield_updater_t, fdfield_updater_t, fdfield_updater_t]:
     """
     Utility operators for taking discretized derivatives (forward variant).
@@ -59,9 +61,12 @@ def deriv_back(
     return derivs
 
 
+TT = TypeVar('TT', bound='NDArray[floating | complexfloating]')
+
+
 def curl_forward(
-        dx_e: Sequence[NDArray[numpy.float_]] | None = None,
-        ) -> fdfield_updater_t:
+        dx_e: Sequence[NDArray[floating]] | None = None,
+        ) -> Callable[[TT], TT]:
     r"""
     Curl operator for use with the E field.
 
@@ -75,7 +80,7 @@ def curl_forward(
     """
     Dx, Dy, Dz = deriv_forward(dx_e)
 
-    def ce_fun(e: fdfield_t) -> fdfield_t:
+    def ce_fun(e: TT) -> TT:
         output = numpy.empty_like(e)
         output[0] = Dy(e[2])
         output[1] = Dz(e[0])
@@ -89,8 +94,8 @@ def curl_forward(
 
 
 def curl_back(
-        dx_h: Sequence[NDArray[numpy.float_]] | None = None,
-        ) -> fdfield_updater_t:
+        dx_h: Sequence[NDArray[floating]] | None = None,
+        ) -> Callable[[TT], TT]:
     r"""
     Create a function which takes the backward curl of a field.
 
@@ -104,7 +109,7 @@ def curl_back(
     """
     Dx, Dy, Dz = deriv_back(dx_h)
 
-    def ch_fun(h: fdfield_t) -> fdfield_t:
+    def ch_fun(h: TT) -> TT:
         output = numpy.empty_like(h)
         output[0] = Dy(h[2])
         output[1] = Dz(h[0])
@@ -118,7 +123,7 @@ def curl_back(
 
 
 def curl_forward_parts(
-        dx_e: Sequence[NDArray[numpy.float_]] | None = None,
+        dx_e: Sequence[NDArray[floating]] | None = None,
         ) -> Callable:
     Dx, Dy, Dz = deriv_forward(dx_e)
 
@@ -131,7 +136,7 @@ def curl_forward_parts(
 
 
 def curl_back_parts(
-        dx_h: Sequence[NDArray[numpy.float_]] | None = None,
+        dx_h: Sequence[NDArray[floating]] | None = None,
         ) -> Callable:
     Dx, Dy, Dz = deriv_back(dx_h)
 

meanas/fdmath/operators.py

@@ -3,10 +3,11 @@ Matrix operators for finite difference simulations
 
 Basic discrete calculus etc.
 """
-from typing import Sequence
+from collections.abc import Sequence
 import numpy
 from numpy.typing import NDArray
-import scipy.sparse as sparse   # type: ignore
+from numpy import floating
+from scipy import sparse
 
 from .types import vfdfield_t
 
@@ -29,12 +30,12 @@ def shift_circ(
         Sparse matrix for performing the circular shift.
     """
     if len(shape) not in (2, 3):
-        raise Exception('Invalid shape: {}'.format(shape))
+        raise Exception(f'Invalid shape: {shape}')
     if axis not in range(len(shape)):
-        raise Exception('Invalid direction: {}, shape is {}'.format(axis, shape))
+        raise Exception(f'Invalid direction: {axis}, shape is {shape}')
 
     shifts = [abs(shift_distance) if a == axis else 0 for a in range(3)]
-    shifted_diags = [(numpy.arange(n) + s) % n for n, s in zip(shape, shifts)]
+    shifted_diags = [(numpy.arange(n) + s) % n for n, s in zip(shape, shifts, strict=True)]
     ijk = numpy.meshgrid(*shifted_diags, indexing='ij')
 
     n = numpy.prod(shape)
@@ -69,12 +70,11 @@ def shift_with_mirror(
         Sparse matrix for performing the shift-with-mirror.
     """
     if len(shape) not in (2, 3):
-        raise Exception('Invalid shape: {}'.format(shape))
+        raise Exception(f'Invalid shape: {shape}')
     if axis not in range(len(shape)):
-        raise Exception('Invalid direction: {}, shape is {}'.format(axis, shape))
+        raise Exception(f'Invalid direction: {axis}, shape is {shape}')
     if shift_distance >= shape[axis]:
-        raise Exception('Shift ({}) is too large for axis {} of size {}'.format(
-                        shift_distance, axis, shape[axis]))
+        raise Exception(f'Shift ({shift_distance}) is too large for axis {axis} of size {shape[axis]}')
 
     def mirrored_range(n: int, s: int) -> NDArray[numpy.int_]:
         v = numpy.arange(n) + s
@@ -83,7 +83,7 @@ def shift_with_mirror(
         return v
 
     shifts = [shift_distance if a == axis else 0 for a in range(3)]
-    shifted_diags = [mirrored_range(n, s) for n, s in zip(shape, shifts)]
+    shifted_diags = [mirrored_range(n, s) for n, s in zip(shape, shifts, strict=True)]
     ijk = numpy.meshgrid(*shifted_diags, indexing='ij')
 
     n = numpy.prod(shape)
@@ -97,7 +97,7 @@ def shift_with_mirror(
 
 
 def deriv_forward(
-        dx_e: Sequence[NDArray[numpy.float_]],
+        dx_e: Sequence[NDArray[floating]],
         ) -> list[sparse.spmatrix]:
     """
     Utility operators for taking discretized derivatives (forward variant).
@@ -124,7 +124,7 @@ def deriv_forward(
 
 
 def deriv_back(
-        dx_h: Sequence[NDArray[numpy.float_]],
+        dx_h: Sequence[NDArray[floating]],
         ) -> list[sparse.spmatrix]:
     """
     Utility operators for taking discretized derivatives (backward variant).
@@ -198,7 +198,7 @@ def avg_forward(axis: int, shape: Sequence[int]) -> sparse.spmatrix:
         Sparse matrix for forward average operation.
     """
     if len(shape) not in (2, 3):
-        raise Exception('Invalid shape: {}'.format(shape))
+        raise Exception(f'Invalid shape: {shape}')
 
     n = numpy.prod(shape)
     return 0.5 * (sparse.eye(n) + shift_circ(axis, shape))
@@ -219,7 +219,7 @@ def avg_back(axis: int, shape: Sequence[int]) -> sparse.spmatrix:
 
 
 def curl_forward(
-        dx_e: Sequence[NDArray[numpy.float_]],
+        dx_e: Sequence[NDArray[floating]],
         ) -> sparse.spmatrix:
     """
     Curl operator for use with the E field.
@@ -235,7 +235,7 @@ def curl_forward(
 
 
 def curl_back(
-        dx_h: Sequence[NDArray[numpy.float_]],
+        dx_h: Sequence[NDArray[floating]],
         ) -> sparse.spmatrix:
     """
     Curl operator for use with the H field.

meanas/fdmath/types.py

@@ -1,26 +1,26 @@
 """
 Types shared across multiple submodules
 """
-from typing import Sequence, Callable, MutableSequence
-import numpy
+from collections.abc import Sequence, Callable, MutableSequence
 from numpy.typing import NDArray
+from numpy import floating, complexfloating
 
 
 # Field types
-fdfield_t = NDArray[numpy.float_]
+fdfield_t = NDArray[floating]
 """Vector field with shape (3, X, Y, Z) (e.g. `[E_x, E_y, E_z]`)"""
 
-vfdfield_t = NDArray[numpy.float_]
+vfdfield_t = NDArray[floating]
 """Linearized vector field (single vector of length 3*X*Y*Z)"""
 
-cfdfield_t = NDArray[numpy.complex_]
+cfdfield_t = NDArray[complexfloating]
 """Complex vector field with shape (3, X, Y, Z) (e.g. `[E_x, E_y, E_z]`)"""
 
-vcfdfield_t = NDArray[numpy.complex_]
+vcfdfield_t = NDArray[complexfloating]
 """Linearized complex vector field (single vector of length 3*X*Y*Z)"""
 
 
-dx_lists_t = Sequence[Sequence[NDArray[numpy.float_]]]
+dx_lists_t = Sequence[Sequence[NDArray[floating]]]
 """
  'dxes' datastructure which contains grid cell width information in the following format:
 
@@ -31,7 +31,7 @@ dx_lists_t = Sequence[Sequence[NDArray[numpy.float_]]]
    and `dy_h[0]` is the y-width of the `y=0` cells, as used when calculating dH/dy, etc.
 """
 
-dx_lists_mut = MutableSequence[MutableSequence[NDArray[numpy.float_]]]
+dx_lists_mut = MutableSequence[MutableSequence[NDArray[floating]]]
 """Mutable version of `dx_lists_t`"""
 
 

meanas/fdmath/vectorization.py

@@ -4,7 +4,8 @@ and a 1D array representation of that field `[f_x0, f_x1, f_x2,... f_y0,... f_z0
 Vectorized versions of the field use row-major (ie., C-style) ordering.
 """
 
-from typing import overload, Sequence
+from typing import overload
+from collections.abc import Sequence
 import numpy
 from numpy.typing import ArrayLike
 

meanas/fdtd/__init__.py

@@ -159,8 +159,22 @@ Boundary conditions
 # TODO notes about boundaries / PMLs
 """
 
-from .base import maxwell_e, maxwell_h
-from .pml import cpml_params, updates_with_cpml
-from .energy import (poynting, poynting_divergence, energy_hstep, energy_estep,
-                     delta_energy_h2e, delta_energy_j)
-from .boundaries import conducting_boundary
+from .base import (
+    maxwell_e as maxwell_e,
+    maxwell_h as maxwell_h,
+    )
+from .pml import (
+    cpml_params as cpml_params,
+    updates_with_cpml as updates_with_cpml,
+    )
+from .energy import (
+    poynting as poynting,
+    poynting_divergence as poynting_divergence,
+    energy_hstep as energy_hstep,
+    energy_estep as energy_estep,
+    delta_energy_h2e as delta_energy_h2e,
+    delta_energy_j as delta_energy_j,
+    )
+from .boundaries import (
+    conducting_boundary as conducting_boundary,
+    )

meanas/fdtd/boundaries.py

@@ -15,13 +15,17 @@ def conducting_boundary(
         ) -> tuple[fdfield_updater_t, fdfield_updater_t]:
     dirs = [0, 1, 2]
     if direction not in dirs:
-        raise Exception('Invalid direction: {}'.format(direction))
+        raise Exception(f'Invalid direction: {direction}')
     dirs.remove(direction)
     u, v = dirs
 
+    boundary_slice: list[Any]
+    shifted1_slice: list[Any]
+    shifted2_slice: list[Any]
+
     if polarity < 0:
-        boundary_slice = [slice(None)] * 3      # type: list[Any]
-        shifted1_slice = [slice(None)] * 3      # type: list[Any]
+        boundary_slice = [slice(None)] * 3
+        shifted1_slice = [slice(None)] * 3
         boundary_slice[direction] = 0
         shifted1_slice[direction] = 1
 
@@ -42,7 +46,7 @@ def conducting_boundary(
     if polarity > 0:
         boundary_slice = [slice(None)] * 3
         shifted1_slice = [slice(None)] * 3
-        shifted2_slice = [slice(None)] * 3      # type: list[Any]
+        shifted2_slice = [slice(None)] * 3
         boundary_slice[direction] = -1
         shifted1_slice[direction] = -2
         shifted2_slice[direction] = -3
@@ -64,4 +68,4 @@ def conducting_boundary(
 
         return ep, hp
 
-    raise Exception('Bad polarity: {}'.format(polarity))
+    raise Exception(f'Bad polarity: {polarity}')

meanas/fdtd/pml.py

@@ -7,7 +7,8 @@ PML implementations
 """
 # TODO retest pmls!
 
-from typing import Callable, Sequence, Any
+from typing import Any
+from collections.abc import Callable, Sequence
 from copy import deepcopy
 import numpy
 from numpy.typing import NDArray, DTypeLike
@@ -33,10 +34,10 @@ def cpml_params(
         ) -> dict[str, Any]:
 
     if axis not in range(3):
-        raise Exception('Invalid axis: {}'.format(axis))
+        raise Exception(f'Invalid axis: {axis}')
 
     if polarity not in (-1, 1):
-        raise Exception('Invalid polarity: {}'.format(polarity))
+        raise Exception(f'Invalid polarity: {polarity}')
 
     if thickness <= 2:
         raise Exception('It would be wise to have a pml with 4+ cells of thickness')
@@ -111,7 +112,7 @@ def updates_with_cpml(
     params_H: list[list[tuple[Any, Any, Any, Any]]] = deepcopy(params_E)
 
     for axis in range(3):
-        for pp, polarity in enumerate((-1, 1)):
+        for pp, _polarity in enumerate((-1, 1)):
             cpml_param = cpml_params[axis][pp]
             if cpml_param is None:
                 psi_E[axis][pp] = (None, None)
@@ -184,7 +185,7 @@ def updates_with_cpml(
     def update_H(
             e: fdfield_t,
             h: fdfield_t,
-            mu: fdfield_t = numpy.ones(3),
+            mu: fdfield_t | tuple[int, int, int] = (1, 1, 1),
             ) -> None:
         dyEx = Dfy(e[0])
         dzEx = Dfz(e[0])

meanas/test/conftest.py

@@ -3,7 +3,8 @@
 Test fixtures
 
 """
-from typing import Iterable, Any
+# ruff: noqa: ARG001
+from typing import Any
 import numpy
 from numpy.typing import NDArray
 import pytest       # type: ignore
@@ -20,18 +21,18 @@ FixtureRequest = Any
                         (5, 5, 5),
                         # (7, 7, 7),
                        ])
-def shape(request: FixtureRequest) -> Iterable[tuple[int, ...]]:
-    yield (3, *request.param)
+def shape(request: FixtureRequest) -> tuple[int, ...]:
+    return (3, *request.param)
 
 
 @pytest.fixture(scope='module', params=[1.0, 1.5])
-def epsilon_bg(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def epsilon_bg(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(scope='module', params=[1.0, 2.5])
-def epsilon_fg(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def epsilon_fg(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(scope='module', params=['center', '000', 'random'])
@@ -40,7 +41,7 @@ def epsilon(
         shape: tuple[int, ...],
         epsilon_bg: float,
         epsilon_fg: float,
-        ) -> Iterable[NDArray[numpy.float64]]:
+        ) -> NDArray[numpy.float64]:
     is3d = (numpy.array(shape) == 1).sum() == 0
     if is3d:
         if request.param == '000':
@@ -60,17 +61,17 @@ def epsilon(
                                   high=max(epsilon_bg, epsilon_fg),
                                   size=shape)
 
-    yield epsilon
+    return epsilon
 
 
 @pytest.fixture(scope='module', params=[1.0])  # 1.5
-def j_mag(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def j_mag(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(scope='module', params=[1.0, 1.5])
-def dx(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def dx(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(scope='module', params=['uniform', 'centerbig'])
@@ -78,7 +79,7 @@ def dxes(
         request: FixtureRequest,
         shape: tuple[int, ...],
         dx: float,
-        ) -> Iterable[list[list[NDArray[numpy.float64]]]]:
+        ) -> list[list[NDArray[numpy.float64]]]:
     if request.param == 'uniform':
         dxes = [[numpy.full(s, dx) for s in shape[1:]] for _ in range(2)]
     elif request.param == 'centerbig':
@@ -90,5 +91,5 @@ def dxes(
         dxe = [PRNG.uniform(low=1.0 * dx, high=1.1 * dx, size=s) for s in shape[1:]]
         dxh = [(d + numpy.roll(d, -1)) / 2 for d in dxe]
         dxes = [dxe, dxh]
-    yield dxes
+    return dxes
 

meanas/test/test_fdfd.py

@@ -1,4 +1,4 @@
-from typing import Iterable
+# ruff: noqa: ARG001
 import dataclasses
 import pytest       # type: ignore
 import numpy
@@ -61,24 +61,24 @@ def test_poynting_planes(sim: 'FDResult') -> None:
 # Also see conftest.py
 
 @pytest.fixture(params=[1 / 1500])
-def omega(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def omega(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(params=[None])
-def pec(request: FixtureRequest) -> Iterable[NDArray[numpy.float64] | None]:
-    yield request.param
+def pec(request: FixtureRequest) -> NDArray[numpy.float64] | None:
+    return request.param
 
 
 @pytest.fixture(params=[None])
-def pmc(request: FixtureRequest) -> Iterable[NDArray[numpy.float64] | None]:
-    yield request.param
+def pmc(request: FixtureRequest) -> NDArray[numpy.float64] | None:
+    return request.param
 
 
 #@pytest.fixture(scope='module',
 #                params=[(25, 5, 5)])
-#def shape(request):
-#    yield (3, *request.param)
+#def shape(request: FixtureRequest):
+#    return (3, *request.param)
 
 
 @pytest.fixture(params=['diag'])        # 'center'
@@ -86,7 +86,7 @@ def j_distribution(
         request: FixtureRequest,
         shape: tuple[int, ...],
         j_mag: float,
-        ) -> Iterable[NDArray[numpy.float64]]:
+        ) -> NDArray[numpy.float64]:
     j = numpy.zeros(shape, dtype=complex)
     center_mask = numpy.zeros(shape, dtype=bool)
     center_mask[:, shape[1] // 2, shape[2] // 2, shape[3] // 2] = True
@@ -96,7 +96,7 @@ def j_distribution(
     elif request.param == 'diag':
         j[numpy.roll(center_mask, [1, 1, 1], axis=(1, 2, 3))] = (1 + 1j) * j_mag
         j[numpy.roll(center_mask, [-1, -1, -1], axis=(1, 2, 3))] = (1 - 1j) * j_mag
-    yield j
+    return j
 
 
 @dataclasses.dataclass()
@@ -145,7 +145,7 @@ def sim(
         omega=omega,
         dxes=dxes,
         epsilon=eps_vec,
-        matrix_solver_opts={'atol': 1e-15, 'tol': 1e-11},
+        matrix_solver_opts={'atol': 1e-15, 'rtol': 1e-11},
         )
     e = unvec(e_vec, shape[1:])
 

meanas/test/test_fdfd_pml.py

@@ -1,4 +1,4 @@
-from typing import Iterable
+# ruff: noqa: ARG001
 import pytest       # type: ignore
 import numpy
 from numpy.typing import NDArray
@@ -44,30 +44,30 @@ def test_pml(sim: FDResult, src_polarity: int) -> None:
 # Also see conftest.py
 
 @pytest.fixture(params=[1 / 1500])
-def omega(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def omega(request: FixtureRequest) -> float:
+    return request.param
 
 
 @pytest.fixture(params=[None])
-def pec(request: FixtureRequest) -> Iterable[NDArray[numpy.float64] | None]:
-    yield request.param
+def pec(request: FixtureRequest) -> NDArray[numpy.float64] | None:
+    return request.param
 
 
 @pytest.fixture(params=[None])
-def pmc(request: FixtureRequest) -> Iterable[NDArray[numpy.float64] | None]:
-    yield request.param
+def pmc(request: FixtureRequest) -> NDArray[numpy.float64] | None:
+    return request.param
 
 
 @pytest.fixture(params=[(30, 1, 1),
                         (1, 30, 1),
                         (1, 1, 30)])
-def shape(request: FixtureRequest) -> Iterable[tuple[int, ...]]:
-    yield (3, *request.param)
+def shape(request: FixtureRequest) -> tuple[int, int, int]:
+    return (3, *request.param)
 
 
 @pytest.fixture(params=[+1, -1])
-def src_polarity(request: FixtureRequest) -> Iterable[int]:
-    yield request.param
+def src_polarity(request: FixtureRequest) -> int:
+    return request.param
 
 
 @pytest.fixture()
@@ -78,7 +78,7 @@ def j_distribution(
         dxes: dx_lists_mut,
         omega: float,
         src_polarity: int,
-        ) -> Iterable[NDArray[numpy.complex128]]:
+        ) -> NDArray[numpy.complex128]:
     j = numpy.zeros(shape, dtype=complex)
 
     dim = numpy.where(numpy.array(shape[1:]) > 1)[0][0]    # Propagation axis
@@ -106,7 +106,7 @@ def j_distribution(
 
     j = fdfd.waveguide_3d.compute_source(E=e, wavenumber=wavenumber_corrected, omega=omega, dxes=dxes,
                                          axis=dim, polarity=src_polarity, slices=slices, epsilon=epsilon)
-    yield j
+    return j
 
 
 @pytest.fixture()
@@ -115,9 +115,9 @@ def epsilon(
         shape: tuple[int, ...],
         epsilon_bg: float,
         epsilon_fg: float,
-        ) -> Iterable[NDArray[numpy.float64]]:
+        ) -> NDArray[numpy.float64]:
     epsilon = numpy.full(shape, epsilon_fg, dtype=float)
-    yield epsilon
+    return epsilon
 
 
 @pytest.fixture(params=['uniform'])
@@ -127,7 +127,7 @@ def dxes(
         dx: float,
         omega: float,
         epsilon_fg: float,
-        ) -> Iterable[list[list[NDArray[numpy.float64]]]]:
+        ) -> list[list[NDArray[numpy.float64]]]:
     if request.param == 'uniform':
         dxes = [[numpy.full(s, dx) for s in shape[1:]] for _ in range(2)]
     dim = numpy.where(numpy.array(shape[1:]) > 1)[0][0]    # Propagation axis
@@ -141,7 +141,7 @@ def dxes(
                 epsilon_effective=epsilon_fg,
                 thickness=10,
                 )
-    yield dxes
+    return dxes
 
 
 @pytest.fixture()
@@ -162,7 +162,7 @@ def sim(
         omega=omega,
         dxes=dxes,
         epsilon=eps_vec,
-        matrix_solver_opts={'atol': 1e-15, 'tol': 1e-11},
+        matrix_solver_opts={'atol': 1e-15, 'rtol': 1e-11},
         )
     e = unvec(e_vec, shape[1:])
 

meanas/test/test_fdtd.py

@@ -1,4 +1,5 @@
-from typing import Iterable, Any
+# ruff: noqa: ARG001
+from typing import Any
 import dataclasses
 import pytest       # type: ignore
 import numpy
@@ -101,7 +102,7 @@ def test_poynting_divergence(sim: 'TDResult') -> None:
 def test_poynting_planes(sim: 'TDResult') -> None:
     mask = (sim.js[0] != 0).any(axis=0)
     if mask.sum() > 1:
-        pytest.skip('test_poynting_planes can only test single point sources, got {}'.format(mask.sum()))
+        pytest.skip(f'test_poynting_planes can only test single point sources, got {mask.sum()}')
 
     args: dict[str, Any] = {
         'dxes': sim.dxes,
@@ -150,8 +151,8 @@ def test_poynting_planes(sim: 'TDResult') -> None:
 
 
 @pytest.fixture(params=[0.3])
-def dt(request: FixtureRequest) -> Iterable[float]:
-    yield request.param
+def dt(request: FixtureRequest) -> float:
+    return request.param
 
 
 @dataclasses.dataclass()
@@ -168,8 +169,8 @@ class TDResult:
 
 
 @pytest.fixture(params=[(0, 4, 8)])  # (0,)
-def j_steps(request: FixtureRequest) -> Iterable[tuple[int, ...]]:
-    yield request.param
+def j_steps(request: FixtureRequest) -> tuple[int, ...]:
+    return request.param
 
 
 @pytest.fixture(params=['center', 'random'])
@@ -177,7 +178,7 @@ def j_distribution(
         request: FixtureRequest,
         shape: tuple[int, ...],
         j_mag: float,
-        ) -> Iterable[NDArray[numpy.float64]]:
+        ) -> NDArray[numpy.float64]:
     j = numpy.zeros(shape)
     if request.param == 'center':
         j[:, shape[1] // 2, shape[2] // 2, shape[3] // 2] = j_mag
@@ -185,7 +186,7 @@ def j_distribution(
         j[:, 0, 0, 0] = j_mag
     elif request.param == 'random':
         j[:] = PRNG.uniform(low=-j_mag, high=j_mag, size=shape)
-    yield j
+    return j
 
 
 @pytest.fixture()
@@ -199,8 +200,7 @@ def sim(
         j_steps: tuple[int, ...],
         ) -> TDResult:
     is3d = (numpy.array(shape) == 1).sum() == 0
-    if is3d:
-        if dt != 0.3:
+    if is3d and dt != 0.3:
         pytest.skip('Skipping dt != 0.3 because test is 3D (for speed)')
 
     sim = TDResult(

meanas/test/utils.py

@@ -1,5 +1,3 @@
-from typing import Any
-
 import numpy
 from numpy.typing import NDArray
 
@@ -10,22 +8,25 @@ PRNG = numpy.random.RandomState(12345)
 def assert_fields_close(
         x: NDArray,
         y: NDArray,
-        *args: Any,
-        **kwargs: Any,
-        ) -> None:
-    numpy.testing.assert_allclose(
-        x, y, verbose=False,            # type: ignore
-        err_msg='Fields did not match:\n{}\n{}'.format(numpy.moveaxis(x, -1, 0),
-                                                       numpy.moveaxis(y, -1, 0)),
         *args,
         **kwargs,
+        ) -> None:
+    x_disp = numpy.moveaxis(x, -1, 0)
+    y_disp = numpy.moveaxis(y, -1, 0)
+    numpy.testing.assert_allclose(
+        x,           # type: ignore
+        y,           # type: ignore
+        *args,
+        verbose=False,
+        err_msg=f'Fields did not match:\n{x_disp}\n{y_disp}',
+        **kwargs,
         )
 
 def assert_close(
         x: NDArray,
         y: NDArray,
-        *args: Any,
-        **kwargs: Any,
+        *args,
+        **kwargs,
         ) -> None:
     numpy.testing.assert_allclose(x, y, *args, **kwargs)
 

pyproject.toml

@@ -39,8 +39,8 @@ include = [
     ]
 dynamic = ["version"]
 dependencies = [
-    "numpy~=1.21",
-    "scipy",
+    "numpy>=1.26",
+    "scipy~=1.14",
     ]
 
 
@@ -51,3 +51,48 @@ path = "meanas/__init__.py"
 dev = ["pytest", "pdoc", "gridlock"]
 examples = ["gridlock"]
 test = ["pytest"]
+
+
+[tool.ruff]
+exclude = [
+    ".git",
+    "dist",
+    ]
+line-length = 245
+indent-width = 4
+lint.dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
+lint.select = [
+    "NPY", "E", "F", "W", "B", "ANN", "UP", "SLOT", "SIM", "LOG",
+    "C4", "ISC", "PIE", "PT", "RET", "TCH", "PTH", "INT",
+    "ARG", "PL", "R", "TRY",
+    "G010", "G101", "G201", "G202",
+    "Q002", "Q003", "Q004",
+    ]
+lint.ignore = [
+    #"ANN001",   # No annotation
+    "ANN002",   # *args
+    "ANN003",   # **kwargs
+    "ANN401",   # Any
+    "ANN101",   # self: Self
+    "SIM108",   # single-line if / else assignment
+    "RET504",   # x=y+z; return x
+    "PIE790",   # unnecessary pass
+    "ISC003",   # non-implicit string concatenation
+    "C408",     # dict(x=y) instead of {'x': y}
+    "PLR09",    # Too many xxx
+    "PLR2004",  # magic number
+    "PLC0414",  # import x as x
+    "TRY003",   # Long exception message
+    "TRY002",   # Exception()
+    ]
+
+
+[[tool.mypy.overrides]]
+module = [
+    "scipy",
+    "scipy.optimize",
+    "scipy.linalg",
+    "scipy.sparse",
+    "scipy.sparse.linalg",
+    ]
+ignore_missing_imports = true