leonarski_f
451310f43d
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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 The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68 Co-authored-by: Filip Leonarski 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>
67 lines
2.8 KiB
C++
67 lines
2.8 KiB
C++
// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include "JFJochException.h"
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#include "Coord.h"
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#include "GoniometerAxis.h"
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class DiffractionGeometry {
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float beam_x_pxl = 0.0;
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float beam_y_pxl = 0.0;
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float det_distance_mm = 100.0;
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float pixel_size_mm = 0.075;
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float wavelength_A = 1.0;
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float poni_rot_1 = 0.0f;
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float poni_rot_2 = 0.0f;
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float poni_rot_3 = 0.0f;
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RotMatrix poni_rot;
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std::optional<GoniometerAxis> axis;
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void UpdatePoniRotMatrix();
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public:
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DiffractionGeometry &BeamX_pxl(float input);
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DiffractionGeometry &BeamY_pxl(float input);
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DiffractionGeometry &DetectorDistance_mm(float input);
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DiffractionGeometry &PixelSize_mm(float input);
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DiffractionGeometry &Wavelength_A(float input);
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DiffractionGeometry &PoniRot1_rad(float input);
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DiffractionGeometry &PoniRot2_rad(float input);
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DiffractionGeometry &PoniRot3_rad(float input);
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DiffractionGeometry &Rotation(const std::optional<GoniometerAxis> &input);
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[[nodiscard]] float GetBeamX_pxl() const;
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[[nodiscard]] float GetBeamY_pxl() const;
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[[nodiscard]] float GetDetectorDistance_mm() const;
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[[nodiscard]] float GetPixelSize_mm() const;
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[[nodiscard]] float GetWavelength_A() const;
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[[nodiscard]] Coord GetScatteringVector() const;
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[[nodiscard]] float GetPoniRot1_rad() const;
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[[nodiscard]] float GetPoniRot2_rad() const;
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[[nodiscard]] float GetPoniRot3_rad() const;
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[[nodiscard]] std::pair<float, float> GetDirectBeam_pxl() const;
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[[nodiscard]] std::optional<GoniometerAxis> GetRotation() const;
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[[nodiscard]] Coord LabCoord(float x, float y) const;
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[[nodiscard]] Coord DetectorToRecip(float x, float y) const;
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[[nodiscard]] std::pair<float, float> RecipToDetector(const Coord &recip) const;
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[[nodiscard]] float TwoTheta_rad(float x, float y) const;
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[[nodiscard]] float Phi_rad(float x, float y) const;
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[[nodiscard]] float PxlToRes(float x, float y) const;
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[[nodiscard]] float PxlToQ(float x, float y) const;
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[[nodiscard]] float PxlToRes(float dist_pxl) const;
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[[nodiscard]] float ResToPxl(float d_A) const;
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[[nodiscard]] Coord ResToPxl(float d_A, float phi) const;
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[[nodiscard]] float DistFromEwaldSphere(const Coord& recip) const;
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[[nodiscard]] float CalcAzIntSolidAngleCorr(float x, float y) const;
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[[nodiscard]] float CalcAzIntPolarizationCorr(float x, float y, float coeff) const;
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[[nodiscard]] std::pair<float, float> ResPhiToPxl(float d_A, float phi_rad) const;
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[[nodiscard]] Coord ProjectToEwaldSphere(const Coord &p0) const;
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// eq. 18 in https://journals.iucr.org/d/issues/2014/08/00/dz5332/index.html
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[[nodiscard]] float AngleFromEwaldSphere_deg(const Coord &p0) const;
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[[nodiscard]] const RotMatrix& GetPoniRotMatrix() const;
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};
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