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* Fixed `jfjoch_broker` cancelling every data collection with a CUDA "out of memory" error after long operation: GPU memory no longer leaks with each collection. * Rugnux scales a rotation sweep until the per-frame scales settle instead of for a fixed three rounds, and says so when they did not - merged intensities, and the space group, resolution cut and frame rejection read off them, change accordingly; `--scaling-iterations` is now the cap on that loop (default 100). * Rugnux places every frame of a marCCD, SMV or miniCBF series at the spindle angle its own header states, so a series with missing frames, or with angles written modulo 360, is no longer read at the wrong geometry or refused. * Every rotation run writes two diagnostic files beside its reflections: `<prefix>_detector.jpg`, the detector projection with the pixel mask and the detected beam-stop shadow drawn on it, and `<prefix>_plot.txt`, one row per image. Reviewed-on: #82 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
38 lines
1.7 KiB
C++
38 lines
1.7 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 <algorithm>
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#include "../common/Reflection.h"
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#include "../common/CrystalLattice.h"
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#include "../common/DiffractionGeometry.h"
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#include "ReflectionArena.h"
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// A frame's integrated reflections. The whole-run passes keep them in a ReflectionArena (see there);
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// anywhere else the allocator is plain new/delete.
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using ReflectionVector = std::vector<Reflection, ArenaAllocator<Reflection>>;
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struct IntegrationOutcome {
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DiffractionGeometry geom;
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CrystalLattice latt;
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ReflectionVector reflections;
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std::optional<float> mosaicity_deg;
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std::optional<float> image_scale_cc;
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std::optional<int64_t> image_scale_cc_n;
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std::optional<float> image_scale_g;
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std::optional<float> image_scale_wedge_deg;
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};
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// How far apart, in frames, two partials of one raw hkl may sit and still belong to the same rocking
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// event. The quantity being bridged is an ANGLE - a reflecting range, a tenth to half a degree - so
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// spelling it as a frame count makes the bridge grow with the slicing: at 1 deg per frame the two
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// frames that were always allowed are 2 deg of dead rotation, as wide as a whole event, and two
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// genuine Ewald crossings fuse into one "full". Half a degree of bridge instead, floored at one frame
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// (never cut an event at its own neighbours) and capped at the two frames that were always used. For
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// any wedge of 0.25 deg or less the quotient is at least two and the cap returns the literal 2.0f, so
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// finely sliced data is bridged exactly as before.
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inline float RockingEventFrameGap(float wedge_deg) {
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return std::min(2.0f, std::max(1.0f, 0.5f / wedge_deg));
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} |