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v1.0.0-rc.181 (#92)
* Rugnux: Several rotation sweeps of one crystal are merged as one dataset (`rugnux a_master.h5 b_master.h5`), on a common indexing and cell, with a non-isomorphous sweep left out and reported; `--sweeps separate` processes each sweep on its own. Bruker `.sfrm` frames and imgCIF files with a full goniometer axis chain are read.
* Rugnux: More robust rotation processing - a retry with a more sensitive spot finder when no lattice is found, a self-consistent detector distance, long axes and doubled cells tested as hypotheses, a `-C` supercell multiple stepped down, and each ice ring merged, down-weighted or rejected on its own.
* Rugnux: Serial stills are merged with a partiality-aware error model, reported as `ERROR_MODEL_A/B/C` with no ISa or R_merge/R_meas/R_pim; runs without `-S` have an overall intensity scale about 0.86-0.88 times that of earlier versions, with unchanged statistics. A second crystal form is left out of the merge and reported, the indexing ambiguity is resolved more reliably, and `--model` no longer influences processing.
* Rugnux: The reported CC1/2 is the standard unweighted one, which can be lower than before on sweeps with weak frames; ISa comes with a 95% interval (`ISA_LOW`/`ISA_HIGH`).
* Rugnux: Model refinement adds anisotropic/TLS, local NCS and twin refinement where R-free supports them; building waters and relabelling ions is now off by default (`--refine-solvent` turns it on).
* NXmx: A detector of several modules is written as `module_0` ... `module_N` only, so DIALS reads each module as its own panel.
* Other: JPEG previews use a bundled encoder (libjpeg-turbo no longer needed), Rugnux prints how to cite it, and the release archives contain the HTML documentation.

Reviewed-on: #92
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-11-02 12:05:20 +01:00

113 lines
5.6 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <cstdint>
#include <memory>
#include <mutex>
#include <vector>
#include "../indexing/CUDAMemHelpers.h"
// What a frame's levels and lit thresholds are made of (HotPixelFinder's constants), handed to the
// device so the two halves cannot drift apart.
struct HotPixelLevelRules {
int min_sector_pixels;
int min_ring_pixels;
float lit_nsigma;
float lit_offset; // in the frames' units
float gain; // the frames' units per photon
float neg_nsigma; // HotPixelFinder::NegativeLimit
float neg_offset; // in the frames' units
int neg_fraction_inv;
int neg_min_frames;
};
// The device half of HotPixelFinder, for frames already preprocessed on the GPU. Everything a frame adds
// stays on the device: the per-frame order statistics (each ring-sector's median, each ring's median
// and median absolute deviation), the levels and thresholds made from them, and the per-pixel and
// per-key sums. Every statistic is an exact order statistic of integers, the threshold is computed
// with the same rounding steps as the host's (see HotPixelFinder::AddLevels) and every sum is an
// integer, so the sums are identical to what HotPixelFinder::AddImage produces. When the mask is read
// only what can decide it comes back: per-ring counts for the chance rate, then the few pixels that can
// be persistent or carry the error value.
class HotPixelFinderGPU {
int device = 0; // the card it was built on, where everything below lives
const size_t npixels;
const size_t nkeys;
const int nrings;
const int sectors;
const HotPixelLevelRules rules;
CudaDevicePtr<int32_t> key; // ring * sectors + sector of each pixel, -1 masked
CudaDevicePtr<uint32_t> pixels_by_key; // the unmasked pixels, grouped by key, in pixel order
CudaDevicePtr<uint32_t> key_begin; // where each key's pixels start in pixels_by_key
// The per-pixel and per-key sums, exactly those of HotPixelFinder.
CudaDevicePtr<uint16_t> n_lit, n_error, n_error_ring_ok, n_neg;
CudaDevicePtr<int64_t> sum_value, error_level_sum;
CudaDevicePtr<uint32_t> key_frames;
CudaDevicePtr<int64_t> key_level_sum, key_local_level_sum;
// Each pixel's sums are plain read-modify-writes, so the frames add to them one after another:
// every accumulation waits on the device for the one before it (an event, not the host).
std::mutex accumulate_mutex;
cudaEvent_t last_accumulate = nullptr;
public:
// One worker's buffers, on the stream its frames are preprocessed on.
struct Frame {
explicit Frame(std::shared_ptr<CudaStream> stream) : stream(std::move(stream)) {}
// Its frames are queued, not waited for (Add), so the buffers below must not be freed before
// the stream has used them.
~Frame() { if (stream) cudaStreamSynchronize(*stream); }
Frame(Frame &&) = default;
std::shared_ptr<CudaStream> stream;
CudaDevicePtr<uint32_t> count; // valid pixels per key
CudaDevicePtr<int32_t> sector_median; // per key
CudaDevicePtr<int32_t> ring_median, ring_mad;
CudaDevicePtr<int32_t> level;
CudaDevicePtr<float> threshold;
CudaDevicePtr<char> ring_ok;
};
// The keys of HotPixelFinder: one per pixel, and where each key's pixels start among the unmasked
// pixels sorted by key.
HotPixelFinderGPU(const int32_t *key, size_t npixels, const std::vector<uint32_t> &key_begin, int nrings,
int sectors, const HotPixelLevelRules &rules);
~HotPixelFinderGPU();
HotPixelFinderGPU(const HotPixelFinderGPU &) = delete;
HotPixelFinderGPU &operator=(const HotPixelFinderGPU &) = delete;
[[nodiscard]] int GetDevice() const { return device; }
// Add the sums another card accumulated to this one's. Every sum is an integer, so the result does
// not depend on how the frames were split between the cards or on the order they are folded in.
// Called with this finder's card current.
void Fold(HotPixelFinderGPU &other);
// Add one frame, preprocessed on frame.stream, as HotPixelFinder::AddImage does. Queued on that
// stream; nothing is waited for on the host.
void Add(const int32_t *device_image, Frame &frame);
// Per ring, over the pixels lit on no more than half of their valid frames: the lit frames and the
// valid frames, summed (HotPixelFinder::GetMask's chance rate). Waits for every frame added.
void ChanceCounts(std::vector<int64_t> &lit, std::vector<int64_t> &seen);
// The pixels that can be masked: those holding the error value on more than half of `frames`;
// where spacing_ok, those lit on at least min(max(2, k_chance[ring]), valid frames) of at least
// min_valid valid frames - a persistent pixel is lit on at least that many, because one reflection
// explains at least two; and those with no error frame, at least min_valid valid frames and a sum
// at most half of their sector's level sum, which a dead pixel has. For each, its index and
// per-pixel sums; and every key's sums.
struct Candidates {
std::vector<uint32_t> index;
std::vector<uint16_t> n_lit, n_error, n_error_ring_ok, n_neg;
std::vector<int64_t> sum_value, error_level_sum;
std::vector<uint32_t> key_frames;
std::vector<int64_t> key_level_sum, key_local_level_sum;
};
Candidates GetCandidates(uint32_t frames, int min_valid, bool spacing_ok, const std::vector<int> &k_chance);
};