gratinglab 0.2.0__tar.gz → 0.2.2__tar.gz

{gratinglab-0.2.0/src/gratinglab.egg-info → gratinglab-0.2.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: gratinglab
-Version: 0.2.0
+Version: 0.2.2
 Summary: Open platform for diffraction grating groove metrology and efficiency analysis
 Author: Jake McCoy, Aditi Gangadharan
 License: BSD-3-Clause
@@ -22,7 +22,7 @@ License-File: LICENSE
 Requires-Dist: numpy>=1.26
 Requires-Dist: scipy>=1.11
 Requires-Dist: pydantic>=2.6
-Requires-Dist: endstation>=0.2.2
+Requires-Dist: endstation>=0.2.6
 Requires-Dist: threadpoolctl>=3.1
 Provides-Extra: dev
 Requires-Dist: pytest>=7; extra == "dev"
@@ -34,7 +34,7 @@ Provides-Extra: gui
 Requires-Dist: matplotlib>=3.8; extra == "gui"
 Requires-Dist: PySide6-Essentials!=6.12.0,>=6.7; python_version < "3.12" and extra == "gui"
 Requires-Dist: PySide6-Essentials>=6.7; python_version >= "3.12" and extra == "gui"
-Requires-Dist: endstation[qt]>=0.2.2; extra == "gui"
+Requires-Dist: endstation[qt]>=0.2.6; extra == "gui"
 Provides-Extra: metrology
 Requires-Dist: matplotlib>=3.9; extra == "metrology"
 Provides-Extra: refractiveindex

{gratinglab-0.2.0 → gratinglab-0.2.2}/pyproject.toml

@@ -51,7 +51,7 @@ dependencies = [
     # `dependencies = []` and has a test that fails if that stops being true,
     # so this line adds no transitive weight -- the Qt and matplotlib parts sit
     # behind its own extras, which our `gui` extra asks for by name.
-    "endstation>=0.2.2",
+    "endstation>=0.2.6",
     # The rigorous solvers cap BLAS threads for the length of a solve
     # (solvers/_execution.py): OpenBLAS's thread-per-core default made RCWA
     # up to 135x slower on a busy machine, measured in benchmarks/
@@ -85,7 +85,7 @@ gui = [
     "matplotlib>=3.8",
     "PySide6-Essentials>=6.7,!=6.12.0; python_version < '3.12'",
     "PySide6-Essentials>=6.7; python_version >= '3.12'",
-    "endstation[qt]>=0.2.2",
+    "endstation[qt]>=0.2.6",
 ]
 # Groove metrology: reading AFM scans and averaging them into a boundary
 # profile. An extra for the same reason the GUI is one -- `pip install
@@ -182,12 +182,16 @@ filterwarnings = [
     "ignore:Enum value .Qt..ApplicationAttribute.AA_UseHighDpiPixmaps. is marked as deprecated:DeprecationWarning:matplotlib.backends.backend_qt",
     # CI runs with PYTHONWARNDEFAULTENCODING=1, so any text open() here that
     # leaves the encoding to the platform fails on every OS, not only on
-    # Windows with a non-ASCII file. These three are other projects' calls.
+    # Windows with a non-ASCII file. These four are other projects' calls.
     # numpy's savetxt touches its output with a bare open() whatever encoding
-    # it is given. Inert without the flag.
+    # it is given. threadpoolctl reads /proc/self/maps with a bare open(), so
+    # on Linux only, every rigorous solve (which caps BLAS through it) failed
+    # here: master's CI run 40624677314, both ubuntu jobs. Inert without the
+    # flag.
     "ignore::EncodingWarning:matplotlib.font_manager",
     "ignore::EncodingWarning:numpy.lib._npyio_impl",
     "ignore::EncodingWarning:numpy.lib._datasource",
+    "ignore::EncodingWarning:threadpoolctl",
 ]
 # pytest-qt would otherwise probe every binding it knows. Verified clean under
 # `python -W error -c "import PySide6.QtWidgets"`, so `filterwarnings = error`

{gratinglab-0.2.0 → gratinglab-0.2.2}/src/gratinglab/__init__.py

@@ -22,7 +22,7 @@ from .measured import MeasuredEfficiency, MeasurementProvenance
 from .resolution import ResolvingPower, resolving_power
 from .result import EfficiencyScan, OrderEfficiency, Provenance
 
-__version__ = "0.2.0"
+__version__ = "0.2.2"
 
 __all__ = [
     "Illumination",

{gratinglab-0.2.0 → gratinglab-0.2.2}/src/gratinglab/convergence.py

@@ -201,7 +201,10 @@ def default_ladder(solver) -> tuple[int, ...]:
     """A ladder straddling the solver's own default for its accuracy knob.
 
     The default is read from the signature and is not hardcoded, so a backend
-    that changes its default does not leave this sweeping the wrong range.
+    that changes its default does not leave this sweeping the wrong range. A
+    backend declaring an ``accuracy_ceiling`` has the ladder cut there: a sweep
+    that has not plateaued by the ceiling reports that, instead of failing on
+    a rung the solver refuses.
     """
     knob = _knob_of(solver)
     default = inspect.signature(solver.solve).parameters[knob].default
@@ -211,7 +214,11 @@ def default_ladder(solver) -> tuple[int, ...]:
             f"{knob!r} ({default!r}), so a ladder cannot be inferred -- pass "
             "`values` explicitly"
         )
-    return doubling_ladder(max(1, default // 2**_RUNGS_BELOW_DEFAULT), _DEFAULT_RUNGS)
+    ladder = doubling_ladder(max(1, default // 2**_RUNGS_BELOW_DEFAULT), _DEFAULT_RUNGS)
+    ceiling = solver.capabilities.accuracy_ceiling
+    if ceiling is not None:
+        ladder = tuple(value for value in ladder if value <= ceiling)
+    return ladder
 
 
 def check_convergence(

gratinglab-0.2.2/src/gratinglab/gui/__init__.py

@@ -0,0 +1,30 @@
+"""The desktop layer: two windows and the chooser that opens them.
+
+Only :mod:`gratinglab.gui.qt` may import a toolkit. This module stays
+toolkit-free so the console-script entry points, which live beside it, can
+explain a missing PySide6 before anything tries to import it.
+"""
+
+from __future__ import annotations
+
+from endstation.optional import MissingExtra, require_extra
+
+__all__ = ["STILL_WORKS", "exit_without_qt"]
+
+#: What a missing toolkit leaves working. Without it, a user who wanted only
+#: the solvers reads an absent GUI extra as a broken install.
+STILL_WORKS = "Everything except the GUI works without it."
+
+
+def exit_without_qt() -> None:
+    """Exit with an install instruction if PySide6 is not installed.
+
+    The check is :func:`endstation.optional.require_extra`, a ``find_spec``
+    call rather than an import. Its :class:`~endstation.optional.MissingExtra`
+    becomes ``SystemExit`` here, so a console script prints the message and
+    not a traceback naming a package the user never asked for.
+    """
+    try:
+        require_extra("PySide6", "gui", still_works=STILL_WORKS)
+    except MissingExtra as exc:
+        raise SystemExit(str(exc)) from exc

{gratinglab-0.2.0 → gratinglab-0.2.2}/src/gratinglab/gui/app.py

@@ -15,22 +15,14 @@ from __future__ import annotations
 
 import sys
 
-_QT_HELP = """\
-gratinglab-gui needs PySide6, which this install does not have.
-
-  pip install -e ".[gui]"        (from a checkout)
-  pip install gratinglab[gui]    (once published)
-
-Everything except the GUI works without it.
-"""
+from . import exit_without_qt
 
 
 def _require_qt():
     """Import PySide6 with an explanation instead of a traceback."""
-    try:
-        from PySide6.QtWidgets import QApplication
-    except ImportError as exc:  # pragma: no cover - depends on the install
-        raise SystemExit(_QT_HELP) from exc
+    exit_without_qt()
+    from PySide6.QtWidgets import QApplication
+
     return QApplication
 
 

gratinglab-0.2.2/src/gratinglab/gui/cmethod_options.py

@@ -0,0 +1,123 @@
+"""The C-method's own form: boundary condition, truncation, and their guards.
+
+The third options module, written to the pattern of ``integral_options.py``:
+its own file, its own frozen state and its own ``build_options`` raising
+:class:`~gratinglab.gui.state.FormErrors`, and no toolkit import.
+
+The form has two settings, because the solver has two. ``conductivity`` is
+named and offered as the integral solver offers it, so one geometry reaches
+either method with the same choice: ``"perfect"`` (relative efficiency, no
+material) or ``"tabulated"`` (one interface into the coating, read per
+wavelength, with absolute efficiency, absorption and, into a lossless
+material, the transmitted orders). ``truncation`` is the accuracy knob: ``N``
+harmonics either side of the centre of the propagating orders.
+
+The guards mirror the solver's refusals so an error lands on the field that
+caused it instead of arriving as a ValueError from the worker thread. The
+truncation floor is not re-derived here: it is
+:func:`gratinglab.solvers.cmethod.truncation_floor`, the function the solver
+itself applies, so the form and the solver cannot disagree about it.
+"""
+
+from __future__ import annotations
+
+from dataclasses import dataclass, replace
+from typing import Any
+
+import numpy as np
+from numpy.typing import NDArray
+
+from ..illumination import Illumination
+from ..problem import Problem
+from ..solvers.cmethod import _MAX_TRUNCATION, truncation_floor
+from .integral_options import _tabulated_index
+from .state import FieldError, FormErrors, _number
+
+__all__ = [
+    "CONDUCTIVITY_MODES",
+    "CONDUCTIVITY_NOTES",
+    "CMethodOptionsState",
+    "build_options",
+]
+
+#: Selectable boundary conditions, the solver's default first.
+CONDUCTIVITY_MODES = ("perfect", "tabulated")
+
+#: What each mode means, shown beneath the selector, for the reason
+#: ``integral_options.CONDUCTIVITY_NOTES`` gives: a claim about the result
+#: must not be hardcoded beside a control that can falsify it.
+CONDUCTIVITY_NOTES = {
+    "perfect": (
+        "Perfect conductor in any mount: efficiencies are relative to a "
+        "perfect reflector and sum to 1. A coating named in the geometry "
+        "panel is not consulted (the provenance panel says so)."
+    ),
+    "tabulated": (
+        "One interface into the coating named in the geometry panel, read "
+        "as a complex index at every wavelength. Efficiencies are absolute "
+        "and absorption is recorded; into a lossless material the "
+        "transmitted orders are recorded too, and R + T + A = 1 is a check."
+    ),
+}
+
+
+@dataclass(frozen=True, slots=True)
+class CMethodOptionsState:
+    """The C-method's own form fields, exactly as typed."""
+
+    truncation: str = "32"
+    conductivity: str = CONDUCTIVITY_MODES[0]
+
+    def with_field(self, name: str, value: Any) -> "CMethodOptionsState":
+        """Return a copy with one field changed."""
+        return replace(self, **{name: value})
+
+
+def build_options(
+    problem: Problem,
+    illumination: Illumination,
+    wavelengths: NDArray[np.float64],
+    form: CMethodOptionsState,
+) -> dict[str, Any]:
+    """Parse the C-method options and check the truncation holds every order.
+
+    Raises
+    ------
+    FormErrors
+        Same contract as :func:`gratinglab.gui.state.build`.
+    """
+    errors: list[FieldError] = []
+    truncation = _number(
+        form.truncation, "truncation", errors, minimum=1, integer=True
+    )
+    if truncation is not None and truncation > _MAX_TRUNCATION:
+        errors.append(
+            FieldError(
+                "truncation",
+                f"at most {_MAX_TRUNCATION}: the eigenproblem is dense and its "
+                "cost grows as N^3, so a sweep that has not settled by then is "
+                "the answer",
+            )
+        )
+    if form.conductivity not in CONDUCTIVITY_MODES:
+        errors.append(
+            FieldError(
+                "conductivity",
+                f"must be one of {', '.join(CONDUCTIVITY_MODES)}",
+            )
+        )
+    if errors:
+        raise FormErrors(tuple(errors))
+    assert truncation is not None
+
+    indices = None
+    if form.conductivity == "tabulated":
+        _name, indices, error = _tabulated_index(problem, wavelengths)
+        if error is not None:
+            raise FormErrors((error,))
+
+    floor = truncation_floor(problem, illumination, wavelengths, indices)
+    if truncation < floor.needed:
+        raise FormErrors((FieldError("truncation", floor.message),))
+
+    return {"truncation": int(truncation), "conductivity": form.conductivity}

{gratinglab-0.2.0 → gratinglab-0.2.2}/src/gratinglab/gui/launcher.py

@@ -28,16 +28,9 @@ from __future__ import annotations
 import sys
 from dataclasses import dataclass
 
-__all__ = ["Mode", "MODES", "mode", "main"]
-
-_QT_HELP = """\
-gratinglab-app needs PySide6, which this install does not have.
-
-  pip install -e ".[gui]"        (from a checkout)
-  pip install gratinglab[gui]
+from . import exit_without_qt
 
-Everything except the GUI works without it.
-"""
+__all__ = ["Mode", "MODES", "mode", "main"]
 
 
 @dataclass(frozen=True)
@@ -91,10 +84,9 @@ def mode(key: str) -> Mode:
 
 def _require_qt():
     """Import PySide6 with an explanation instead of a traceback."""
-    try:
-        from PySide6.QtWidgets import QApplication
-    except ImportError as exc:  # pragma: no cover - depends on the install
-        raise SystemExit(_QT_HELP) from exc
+    exit_without_qt()
+    from PySide6.QtWidgets import QApplication
+
     return QApplication
 
 

{gratinglab-0.2.0 → gratinglab-0.2.2}/src/gratinglab/gui/qt/__init__.py

@@ -14,9 +14,8 @@ headlessly.
 
 from __future__ import annotations
 
-import os
-
 # matplotlib's Qt shim picks a binding from sys.modules first and QT_API
-# second. Without this, a stray PyQt5 in the environment would win and its
-# canvas would refuse to parent into a PySide6 window.
-os.environ.setdefault("QT_API", "PySide6")
+# second. Without QT_API, a stray PyQt5 in the environment would win and its
+# canvas would refuse to parent into a PySide6 window. Importing endstation.qt
+# sets it, with setdefault, before anything here imports matplotlib.
+import endstation.qt  # noqa: F401