leonarski_f
d6389e12da
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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. * jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output. * jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling. * Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool. * jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection. * jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata. * CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
54 lines
1.9 KiB
C++
54 lines
1.9 KiB
C++
// SPDX-FileCopyrightText: 2025 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 "Indexer.h"
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#include "../../common/UnitCell.h"
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#include "../../common/Coord.h"
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#include "../../common/CrystalLattice.h"
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#include "../../common/IndexingSettings.h"
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#include "FFTResult.h"
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#define FFT_MAX_SPOTS (64*1024)
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class FFTIndexer : public Indexer {
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protected:
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const float min_length_A;
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const float max_length_A;
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const float min_angle_deg;
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const float max_angle_deg;
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const int nDirections;
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float histogram_spacing;
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int64_t histogram_size;
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std::vector<Coord> direction_vectors;
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size_t input_size;
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size_t output_size;
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// Per-direction best peaks (host)
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std::vector<FFTResult> result_fft;
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void SetupUnitCell(const std::optional<UnitCell> &cell) override;
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// widen=false: combine only the shortest few filtered vectors (fast, correct for compact cells).
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// widen=true: anchor the two short axes but let the third range over all vectors (reaches the long
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// axis of a large/elongated cell). Used only as a fallback when the standard reduction indexes poorly.
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std::vector<CrystalLattice> ReduceResults(const std::vector<Coord> &results, bool widen) const;
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std::vector<Coord> FilterFFTResults(size_t max_vectors) const;
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std::vector<CrystalLattice> ReduceAndRefine(const std::vector<Coord> &coord, size_t nspots,
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const std::vector<Coord> &filtered, bool widen);
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float IndexedFraction(const CrystalLattice &latt, const std::vector<Coord> &coord, size_t nspots) const;
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void SetupDirectionVectors();
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virtual void ExecuteFFT(const std::vector<Coord> &coord, size_t nspots) = 0;
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public:
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explicit FFTIndexer(const IndexingSettings& settings);
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~FFTIndexer() override = default;
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std::vector<CrystalLattice> RunInternal(const std::vector<Coord> &coord, size_t nspots) override;
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};
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