v1.0.0-rc.158 (#68)

This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation.
* jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window.
* rugnux: Accept an absolute `-o` output prefix in offline processing.
* Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed).
* Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>

tests/DiffractionGeometryTest.cpp

@@ -117,13 +117,30 @@ TEST_CASE("DiffractionGeometry_SolidAngleCorrection","") {
     x.BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(75);
     DiffractionGeometry geom = x.GetDiffractionGeometry();
 
-    REQUIRE(geom.CalcAzIntSolidAngleCorr(0.0) == 1.0f);
-    REQUIRE(geom.CalcAzIntSolidAngleCorr(2 * M_PI) == Catch::Approx(0.5f * 0.5f * 0.5f));
-
-    // theta = 30 deg
-    // cos (2 * theta) = 1/2
+    // At the beam centre the correction is 1
     REQUIRE(geom.CalcAzIntSolidAngleCorr(1000, 1000) == 1.0f);
+
+    // 2 * theta = 60 deg  ->  cos(2 * theta) = 1/2  ->  correction = (1/2)^3
     REQUIRE(geom.CalcAzIntSolidAngleCorr(1000 * (1.0 + sqrt(3)), 1000) == Catch::Approx(0.5f * 0.5f * 0.5f));
+    REQUIRE(geom.CalcAzIntSolidAngleCorr(1000, 1000 * (1.0 + sqrt(3))) == Catch::Approx(0.5f * 0.5f * 0.5f));
+}
+
+TEST_CASE("DiffractionGeometry_SolidAngleCorrection_TiltInvariant","") {
+    // The solid-angle correction depends on the incidence angle to the detector
+    // normal, so for a given pixel it must be invariant under a rigid detector tilt
+    // (rot1/rot2/rot3) -- the same behaviour as PyFAI solidAngleArray.
+    DiffractionExperiment x;
+    x.IncidentEnergy_keV(WVL_1A_IN_KEV);
+    x.BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(75);
+    DiffractionGeometry flat = x.GetDiffractionGeometry();
+
+    x.PoniRot1_rad(0.2).PoniRot2_rad(-0.1).PoniRot3_rad(0.5);
+    DiffractionGeometry tilted = x.GetDiffractionGeometry();
+
+    CHECK(tilted.CalcAzIntSolidAngleCorr(100, 100)   == Catch::Approx(flat.CalcAzIntSolidAngleCorr(100, 100)));
+    CHECK(tilted.CalcAzIntSolidAngleCorr(1500, 400)  == Catch::Approx(flat.CalcAzIntSolidAngleCorr(1500, 400)));
+    CHECK(tilted.CalcAzIntSolidAngleCorr(800, 1900)  == Catch::Approx(flat.CalcAzIntSolidAngleCorr(800, 1900)));
+    CHECK(tilted.CalcAzIntSolidAngleCorr(1000, 1000) == Catch::Approx(flat.CalcAzIntSolidAngleCorr(1000, 1000)));
 }
 
 TEST_CASE("DiffractionGeometry_PolarizationCorrection","") {
@@ -424,7 +441,9 @@ Rot3: 0.0
 Wavelength: 1e-10
  */
 
-// Not sure why, but PyFAI solidAngleArray doesn't take into account poni rotation (???)
+// PyFAI solidAngleArray is computed from the incidence angle to the detector normal,
+// so it is independent of the poni rotation (tilt). CalcAzIntSolidAngleCorr matches this;
+// the invariance is checked in DiffractionGeometry_SolidAngleCorrection_TiltInvariant.
     DiffractionExperiment x(DetJF4M());
     x.DetectorDistance_mm(200).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
     DiffractionGeometry geom = x.GetDiffractionGeometry();