feature[adjoint]: pec gradient support for Box

Author: Gregory Roberts

tests/test_components/test_autograd.py

@@ -1621,6 +1621,7 @@ def J(eps):
             [[[[2.0]]]], coords={"x": [0], "y": [0], "z": [0], "f": [1.94e14]}
         ),
         bounds_intersect=((-1, -1, -1), (1, 1, 1)),
+        simulation_bounds=((-2, -2, -2), (2, 2, 2)),
     )
 
     grads_computed = pr._compute_derivatives(derivative_info=info)
@@ -1662,6 +1663,7 @@ def test_adaptive_spacing(eps_real):
         eps_no_structure={},
         eps_inf_structure={},
         bounds_intersect=((-1, -1, -1), (1, 1, 1)),
+        simulation_bounds=((-2, -2, -2), (2, 2, 2)),
     )
 
     with AssertLogLevel("WARNING", contains_str="Based on the material, the adaptive spacing"):
@@ -1691,6 +1693,7 @@ def test_cylinder_discretization(eps_real):
         eps_no_structure={},
         eps_inf_structure={},
         bounds_intersect=((-1, -1, -1), (1, 1, 1)),
+        simulation_bounds=((-2, -2, -2), (2, 2, 2)),
     )
 
     with AssertLogLevel(
@@ -1771,6 +1774,7 @@ def J(eps):
             [[[[2.0]]]], coords={"x": [0], "y": [0], "z": [0], "f": [1.94e14]}
         ),
         bounds_intersect=((-1, -1, -1), (1, 1, 1)),
+        simulation_bounds=((-2, -2, -2), (2, 2, 2)),
     )
 
     grads_computed = pr._compute_derivatives(derivative_info=info)

tests/test_components/test_autograd_polyslab.py

@@ -96,6 +96,7 @@ def __init__(
         axis: int,
         coeffs: dict[str, float],
         bounds_intersect: Optional[tuple[tuple[float, ...], tuple[float, ...]]] = None,
+        simulation_bounds: Optional[tuple[tuple[float, ...], tuple[float, ...]]] = None,
     ) -> None:
         self.paths = paths
         self.axis = axis
@@ -113,6 +114,12 @@ def __init__(
             else ((-1e3, -1e3, -1e3), (1e3, 1e3, 1e3))
         )
 
+        self.simulation_bounds = (
+            simulation_bounds
+            if simulation_bounds is not None
+            else ((-2e3, -2e3, -2e3), (2e3, 2e3, 2e3))
+        )
+
     adaptive_vjp_spacing = DerivativeInfo.adaptive_vjp_spacing
     wavelength_min = property(lambda self: DerivativeInfo.wavelength_min.fget(self))
     wavelength_max = property(lambda self: DerivativeInfo.wavelength_max.fget(self))
@@ -234,6 +241,7 @@ def _setup(self):
             axis=self.AXIS,
             coeffs=COEFFS,
             bounds_intersect=((-1e3, -1e3, z_mid), (1e3, 1e3, z_mid)),
+            simulation_bounds=((-2e3, -2e3, z_mid - 1e3), (2e3, 2e3, z_mid + 1e3)),
         )
         self.results = self.slab._compute_derivatives(self.di)
         self.z_mid = z_mid
@@ -304,6 +312,7 @@ def setup_class(cls):
             axis=cls.AXIS,
             coeffs=COEFFS,
             bounds_intersect=(sim_min, sim_max),
+            simulation_bounds=(sim_min, sim_max),
         )
         cls.results = cls.slab._compute_derivatives(cls.di)