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* jfjoch_broker: Optional per-dataset authentication - statistics, images and plots can require a bearer token, which jfjoch_viewer supports. * jfjoch_viewer: Dark mode and a theme-matched colour scheme, a magnifier panel, and simpler contrast and background controls. * Rugnux: Multiple performance improvements on GPU and CPU (CPU-only processing up to 40% faster, faster image decoding on ARM), with unchanged results. * Rugnux: `--model` rigid-body refinement runs on the GPU, and the model-validation check is faster and more reliable. * Rugnux: Improved scaling and merging - error model, outlier rejection, absorption correction and French-Wilson amplitudes now agree more closely with XDS and ctruncate. * Rugnux: Improved integration - radial background on powder and ice rings, crowded rotation data keep their reflections, and CPU-only builds integrate large unit cells as GPU builds do. * Rugnux: More robust detector geometry - measured beam centre, X-ray bandwidth and goniometer rate, and geometry refinement accepted only on significant evidence. * Rugnux: Merged files are written in the standard setting, or in the setting of a reference MTZ, structure-factor mmCIF or model, with its free-R flags. * Rugnux: Richer report - ice and powder rings, further lattices, superstructure candidates and mosaicity, with warnings worded as prompts to check. * Rugnux: Clear error messages when a data set needs more GPU or host memory than is available. Reviewed-on: #83 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
69 lines
3.5 KiB
C++
69 lines
3.5 KiB
C++
// SPDX-FileCopyrightText: 2026 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 <cstddef>
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#include <functional>
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#include <string>
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#include <vector>
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// Where the frames of a one-file-per-image sweep sit on the spindle.
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//
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// A deposited series of CBF / marCCD / SMV files is not always complete: frames go missing between
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// the beamline and the archive, and the numbers that are left are scattered through the range. Every
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// one of these formats writes each image's own start angle in its own header, so the sweep is fully
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// recoverable - but only if the frames are placed at the angles they state rather than laid out
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// end to end. Reading a gapped series as contiguous compresses the sweep: one deposited 179.8 degree
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// series of 1108 files out of 1800 came out as 111 degrees, and every frame past the first gap was
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// analysed at the wrong spindle angle.
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//
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// So the sweep is a grid of SLOTS, one per rotation step over the range the headers span, and a frame
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// occupies the slot its own angle puts it in. A slot with no file is a missing image, not a compressed
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// out one: the reader hands it back as "nothing to read", which every image loop already handles, and
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// the goniometer's start + increment * image_number is then the true angle of every image.
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namespace sweep {
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// What one frame's own header says about where it sits and how the instrument stood while it was
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// taken. The last four are not used to place the frame - they are what the whole series has to agree
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// on for it to be one sweep at all.
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struct Frame {
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std::string path;
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double angle_deg = 0;
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double increment_deg = 0;
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double distance_m = 0;
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double beam_x_px = 0;
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double beam_y_px = 0;
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double wavelength_A = 0;
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};
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struct Layout {
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std::vector<std::string> files; // one entry per slot; empty where the series has no frame
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double start_deg = 0; // angle of slot 0
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double increment_deg = 0; // one slot, signed with the direction the sweep turns
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size_t present = 0; // files that are really there (files.size() - the gaps)
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};
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// Place the frames on the sweep they describe. frames must be in collection order (the order the
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// file names sort in) and must not be empty.
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//
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// Throws JFJochException, naming the frames, when the series is not one sweep: when the headers
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// disagree about the instrument, when two frames claim the same angle, or when the angles do not sit
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// on a single rotation step - a folder of screening images taken at scattered angles is not a sweep,
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// and silently averaging it into one is how such a set comes out as an indexing failure instead of a
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// clear refusal.
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//
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// A series that does not turn at all - one angle repeated, a grid scan or a set of stills - is left
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// exactly as it came, one slot per file, with the header's nominal increment.
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//
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// logger_name is the reader's own logger, so the gap report names the format the user passed.
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Layout Place(const std::vector<Frame> &frames, const std::string &logger_name);
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// Call fn(i) for every i in [0, n) on up to 8 threads, handing the indices out in order. For reading
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// every frame's header: the threads then read neighbouring files at any moment, so a spinning disk
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// sees one sweep through the directory rather than eight positions drifting apart (2400 CBF headers
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// from a cold spinning disk: 18 s with each thread striding through its own share, 12 s in order).
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void ForEachInOrder(size_t n, const std::function<void(size_t)> &fn);
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} // namespace sweep
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