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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. * **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
368 lines
15 KiB
C++
368 lines
15 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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#include <QGridLayout>
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#include <QPushButton>
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#include <QColor>
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#include "JFJochViewerDatasetInfo.h"
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namespace {
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// Stable colour per run by its position in the run list (Original is index 0 -> blue), so a
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// run keeps its colour whether it is the active (primary) line or an overlay.
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QColor RunColor(int index) {
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static const QColor palette[] = {
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QColor(0x1f, 0x77, 0xb4), QColor(0xff, 0x7f, 0x0e), QColor(0x2c, 0xa0, 0x2c),
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QColor(0xd6, 0x27, 0x28), QColor(0x94, 0x67, 0xbd), QColor(0x8c, 0x56, 0x4b),
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QColor(0xe3, 0x77, 0xc2), QColor(0x7f, 0x7f, 0x7f),
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};
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constexpr int n = static_cast<int>(sizeof(palette) / sizeof(palette[0]));
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return palette[((index % n) + n) % n];
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}
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// A run's image->original-number map as floats for the chart x-axis (empty => identity).
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std::vector<float> XForRun(const JFJochReaderDataset &ds) {
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return {ds.source_image_number.begin(), ds.source_image_number.end()};
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}
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}
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JFJochViewerDatasetInfo::JFJochViewerDatasetInfo(QWidget *parent) : QWidget(parent) {
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auto layout = new QGridLayout(this);
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combo_box = new QComboBox(this);
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last_selection = 0;
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layout->addWidget(combo_box, 0, 0);
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auto reset_button = new QPushButton("Reset zoom", this);
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reset_button->setFixedWidth(100);
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grid_button = new QPushButton("Grid", this);
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grid_button->setFixedWidth(100);
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grid_button->setCheckable(true);
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grid_button->setEnabled(false);
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image_button = new QPushButton("Per-image", this);
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image_button->setFixedWidth(100);
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image_button->setCheckable(true);
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auto add_plot_button = new QPushButton("+ Plot", this);
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add_plot_button->setFixedWidth(80);
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add_plot_button->setToolTip("Open another dataset-info plot, side by side");
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add_plot_button->setStyleSheet(
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"QPushButton { background-color:#1F3A5F; color:white; font-weight:bold; border:none;"
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" border-radius:3px; padding:3px 8px; } QPushButton:hover { background-color:#16314F; }");
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connect(add_plot_button, &QPushButton::clicked, this, &JFJochViewerDatasetInfo::addPlot);
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layout->addWidget(reset_button, 0, 2);
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layout->addWidget(grid_button, 0, 3);
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layout->addWidget(image_button, 0, 4);
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layout->addWidget(add_plot_button, 0, 5);
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stack = new QStackedWidget(this);
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chart_view = new JFJochDatasetInfoChartView(this);
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chart_view->setMinimumHeight(140); // keep enough room for the axis labels even when compressed
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grid_scan_image = new JFJochGridScanImage(this);
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image_chart = new JFJochViewerSidePanelChart(this); // per-image profiles, folded in from the side panel
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stack->addWidget(chart_view);
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stack->addWidget(grid_scan_image);
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stack->addWidget(image_chart);
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layout->addWidget(stack, 1, 0, 1, 6);
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connect(chart_view, &JFJochDatasetInfoChartView::imageSelected,
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this, &JFJochViewerDatasetInfo::imageSelectedInChart);
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connect(reset_button, &QPushButton::clicked,
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this, &JFJochViewerDatasetInfo::resetZoomButtonPressed);
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connect(combo_box, &QComboBox::currentIndexChanged,
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this, &JFJochViewerDatasetInfo::comboBoxSelected);
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connect(grid_scan_image, &JFJochGridScanImage::imageSelected,
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this, &JFJochViewerDatasetInfo::imageSelectedInChart);
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connect(chart_view, &JFJochDatasetInfoChartView::writeStatusBar,
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[this](QString string, int timeout_ms) {
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emit writeStatusBar(string, timeout_ms);
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});
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connect(grid_scan_image, &JFJochGridScanImage::writeStatusBar,
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[this](QString string, int timeout_ms) {
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emit writeStatusBar(string, timeout_ms);
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});
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connect(grid_button, &QPushButton::clicked,
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[this]() {
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if (grid_button->isChecked()) {
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image_button->setChecked(false);
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combo_box->setEnabled(true);
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}
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UpdateView();
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});
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connect(image_button, &QPushButton::clicked,
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[this]() {
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if (image_button->isChecked())
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grid_button->setChecked(false);
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UpdateLabels(); // swap the one combo's contents for the mode
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combo_box->setCurrentIndex(0);
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comboBoxSelected(0); // apply the first option of the new mode
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UpdateView();
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});
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connect(image_chart, &JFJochViewerSidePanelChart::writeStatusBar,
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[this](QString s, int t) { emit writeStatusBar(s, t); });
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setLayout(layout);
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}
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void JFJochViewerDatasetInfo::RestoreSelection() {
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QSignalBlocker bl(combo_box);
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combo_box->setCurrentIndex(last_selection < combo_box->count() ? last_selection : 0);
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}
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void JFJochViewerDatasetInfo::UpdateLabels() {
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QSignalBlocker bl(combo_box);
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if (combo_box->count() > 0)
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last_selection = combo_box->currentIndex();
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combo_box->clear();
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// In per-image mode the one combo selects which per-image profile to show (no second combo).
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if (image_button && image_button->isChecked()) {
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for (const auto &pt : JFJochViewerSidePanelChart::PlotTypes())
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combo_box->addItem(pt.first, pt.second);
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return;
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}
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if (this->dataset) {
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combo_box->addItem("Background estimate", 0);
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combo_box->addItem("Ice ring score", 14);
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combo_box->addItem("Resolution estimate", 7);
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combo_box->addItem("Spot count", 1);
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combo_box->addItem("Spot count (indexed)", 2);
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combo_box->addItem("Spot count (ice rings)", 3);
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combo_box->addItem("Spot count (low res.)", 4);
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// Offer indexing/scaling metrics if the active run, any overlay run, or the live run has them.
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bool has_indexing = !dataset->indexing_result.empty();
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bool has_scale = !dataset->image_scale_factor.empty();
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for (const auto &r: runs_)
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if (r.dataset) {
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has_indexing = has_indexing || !r.dataset->indexing_result.empty();
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has_scale = has_scale || !r.dataset->image_scale_factor.empty();
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}
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if (live_run_) {
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has_indexing = has_indexing || !live_run_->indexing_result.empty();
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has_scale = has_scale || !live_run_->image_scale_factor.empty();
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}
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if (has_indexing) {
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combo_box->insertSeparator(1000);
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combo_box->addItem("Indexing result", 5);
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combo_box->addItem("Profile radius", 6);
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combo_box->addItem("B-factor", 8);
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combo_box->addItem("Mosaicity", 9);
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combo_box->addItem("Integrated reflections", 12);
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combo_box->addItem("Indexing lattice count", 13);
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}
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if (has_scale) {
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combo_box->insertSeparator(1000);
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combo_box->addItem("Scale factor", 10);
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combo_box->addItem("CC", 11);
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}
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for (int i = 0; i < this->dataset->roi.size(); i++) {
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std::string name = std::string("ROI ") + this->dataset->roi[i];
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combo_box->insertSeparator(1000);
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combo_box->addItem(QString::fromStdString(name + " mean"), 100 + i * 4);
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combo_box->addItem(QString::fromStdString(name + " sum"), 100 + i * 4 + 1);
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combo_box->addItem(QString::fromStdString(name + " weighted x"), 100 + i * 4 + 2);
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combo_box->addItem(QString::fromStdString(name + " weighted y"), 100 + i * 4 + 3);
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}
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} else {
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combo_box->clear();
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}
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}
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void JFJochViewerDatasetInfo::datasetLoaded(std::shared_ptr<const JFJochReaderDataset> dataset) {
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this->dataset = dataset;
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// Per-image mode: the combo holds plot types and the chart follows the displayed image, so a
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// new dataset must not repopulate the combo or run the per-dataset plot.
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if (image_button && image_button->isChecked()) {
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UpdateView();
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return;
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}
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if (dataset) {
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UpdateLabels();
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RestoreSelection();
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UpdatePlot();
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} else {
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chart_view->loadValues({}, 0, false);
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grid_scan_image->clear();
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UpdateLabels();
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}
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}
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void JFJochViewerDatasetInfo::imageLoaded(std::shared_ptr<const JFJochReaderImage> image) {
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this->image = image;
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if (image) {
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chart_view->setImage(image->ImageData().number);
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grid_scan_image->setImage(image->ImageData().number);
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}
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image_chart->loadImage(image); // per-image profile follows the displayed image
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}
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void JFJochViewerDatasetInfo::imageSelectedInChart(int64_t number) {
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emit imageSelected(number, 1);
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}
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std::vector<float> JFJochViewerDatasetInfo::ExtractMetric(const JFJochReaderDataset &ds, int val,
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bool &one_over_d2) const {
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one_over_d2 = false;
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std::vector<float> data;
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if (val == 0) data = ds.bkg_estimate;
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else if (val == 1) data = ds.spot_count;
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else if (val == 2) data = ds.spot_count_indexed;
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else if (val == 3) data = ds.spot_count_ice_rings;
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else if (val == 4) data = ds.spot_count_low_res;
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else if (val == 5) data = ds.indexing_result;
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else if (val == 6) data = ds.profile_radius;
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else if (val == 7) { data = ds.resolution_estimate; one_over_d2 = true; }
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else if (val == 8) data = ds.b_factor;
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else if (val == 9) data = ds.mosaicity_deg;
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else if (val == 10) data = ds.image_scale_factor;
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else if (val == 11) data = ds.image_scale_cc;
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else if (val == 12) data = ds.integrated_reflections;
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else if (val == 13) data = ds.indexing_lattice_count;
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else if (val == 14) data = ds.ice_ring_score;
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else if (val >= 100) {
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const int roi_index = (val - 100) / 4;
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if (val % 4 == 0) {
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if (roi_index < ds.roi_sum.size() && ds.roi_sum.size() == ds.roi_npixel.size())
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for (int i = 0; i < ds.roi_sum[roi_index].size(); i++)
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data.push_back(static_cast<float>(ds.roi_sum[roi_index][i])
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/ static_cast<float>(ds.roi_npixel[roi_index][i]));
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} else if (val % 4 == 1) {
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if (roi_index < ds.roi_sum.size()) {
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data.reserve(ds.roi_sum[roi_index].size());
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for (auto &v: ds.roi_sum[roi_index])
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data.push_back(v);
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}
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} else if (val % 4 == 2) {
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if (roi_index < ds.roi_x.size()) data = ds.roi_x[roi_index];
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} else if (val % 4 == 3) {
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if (roi_index < ds.roi_y.size()) data = ds.roi_y[roi_index];
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}
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}
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return data;
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}
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void JFJochViewerDatasetInfo::UpdatePlot() {
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int index = combo_box->currentIndex();
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if (combo_box->count() == 0 || index < 0)
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return;
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int val = combo_box->itemData(index).toInt();
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if (!dataset) {
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grid_button->setEnabled(false);
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return;
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}
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const int64_t image_number = image ? image->ImageData().number : 0;
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bool one_over_d2 = false;
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std::vector<float> data = ExtractMetric(*dataset, val, one_over_d2);
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// One overlay line per other run, plus the in-progress live run. Each run keeps a stable colour
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// tied to its position in the list, so colours don't swap when the active run changes. The
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// primary is matched by dataset pointer (not active_id_) so colour/name stay consistent even
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// while a datasetLoaded/runsChanged pair is still arriving.
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std::vector<JFJochDatasetInfoChartView::NamedSeries> overlays;
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QString primary_name;
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QColor primary_color;
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for (int i = 0; i < runs_.size(); i++) {
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const auto &run = runs_[i];
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if (!run.dataset) continue;
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const QColor color = RunColor(i);
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if (run.dataset == dataset) { primary_name = run.label; primary_color = color; continue; }
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bool ignore = false;
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overlays.push_back({run.label, ExtractMetric(*run.dataset, val, ignore), color, XForRun(*run.dataset)});
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}
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if (live_run_ && live_run_ != dataset) {
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bool ignore = false;
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overlays.push_back({QStringLiteral("Live"), ExtractMetric(*live_run_, val, ignore),
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RunColor(static_cast<int>(runs_.size())), XForRun(*live_run_)});
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}
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// The whole dataset spans this many images (the largest run, i.e. the original file), so the
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// x-axis is fixed to it and subset runs appear at their real position.
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int64_t full_range = dataset->experiment.GetImageNum();
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for (const auto &run: runs_)
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if (run.dataset)
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full_range = std::max<int64_t>(full_range, run.dataset->experiment.GetImageNum());
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chart_view->loadValues(data, image_number, one_over_d2, dataset.get(), primary_name,
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std::move(overlays), primary_color, XForRun(*dataset), full_range);
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if (dataset->experiment.GetGridScan()) {
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grid_scan_image->loadData(data, dataset->experiment.GetGridScan().value(), one_over_d2);
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grid_button->setEnabled(true);
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if (!image_button->isChecked())
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grid_button->setChecked(true);
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} else {
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grid_scan_image->clear();
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grid_button->setEnabled(false);
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}
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UpdateView();
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}
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void JFJochViewerDatasetInfo::UpdateView() {
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if (image_button->isChecked())
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stack->setCurrentWidget(image_chart);
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else if (grid_button->isChecked() && dataset && dataset->experiment.GetGridScan())
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stack->setCurrentWidget(grid_scan_image);
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else
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stack->setCurrentWidget(chart_view);
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}
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void JFJochViewerDatasetInfo::runsChanged(QVector<RunData> runs, QString active_id) {
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runs_ = std::move(runs);
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active_id_ = std::move(active_id);
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if (image_button && image_button->isChecked())
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return; // per-image mode: runs/overlays are a per-dataset concern
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UpdateLabels();
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RestoreSelection();
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UpdatePlot();
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}
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void JFJochViewerDatasetInfo::liveRunUpdated(std::shared_ptr<const JFJochReaderDataset> in_dataset) {
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live_run_ = std::move(in_dataset);
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if (image_button && image_button->isChecked())
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return;
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UpdatePlot(); // lightweight refresh; no combo rebuild on every live tick
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}
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void JFJochViewerDatasetInfo::comboBoxSelected(int index) {
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// The one combo means per-dataset metrics in normal mode, per-image plot types in image mode.
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if (image_button && image_button->isChecked()) {
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if (image_chart && index >= 0 && index < combo_box->count())
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image_chart->setPlotType(combo_box->itemData(index).toInt());
|
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} else {
|
|
UpdatePlot();
|
|
}
|
|
}
|
|
|
|
void JFJochViewerDatasetInfo::setColorMap(int color_map) {
|
|
grid_scan_image->setColorMap(color_map);
|
|
}
|
|
|
|
void JFJochViewerDatasetInfo::resetZoomButtonPressed() {
|
|
if (stack->currentWidget() == grid_scan_image)
|
|
grid_scan_image->fitToView();
|
|
else
|
|
chart_view->resetZoom();
|
|
}
|