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* Rugnux: Processes a collection live while jfjoch_broker writes it (`rugnux <master.h5> <broker URL>`). * Rugnux: Processing starts on the first images and confirms its choices once all are in, so analysis can begin during collection. * Rugnux: Faster processing, especially on servers with several GPUs and CPU sockets and on computers without a GPU (`--no-gpu`, macOS). * Rugnux: Uses much less GPU memory, so large data sets stay on the GPU of smaller cards, and a data set too large for the card is processed on the CPU instead. * Rugnux: On macOS, Bragg integration runs on the Apple GPU. * Rugnux: Better handling of twinning and pseudo-symmetry, with the twin hypothesis written as `<prefix>_twin_<SG>.mtz`, and a wrong `--model` no longer confirms the data or decides the hand. * Rugnux: `--model` accepts predicted (AlphaFold) models and falls back to molecular replacement when the model is not placed as a rigid body (experimental `--mr` forces it), settling space group, hand and twinning and writing a different answer as `<prefix>_mr.mtz`. * Rugnux: Molecular replacement is faster and settles the space group in more cases with several copies in the asymmetric unit. * Rugnux: Deposition-ready mmCIF, a richer report, and numbered steps on the terminal with the full log in `<prefix>_log.txt`; `_P1.mtz`, `--estimate-beam-center` and `--beam-center-search` are removed. * Rugnux: The beam-stop shadow is found correctly on tilted detectors. * Rugnux: Stills files that record a stationary goniometer axis get the default stills geometry refinement. * jfjoch_viewer: "Analyze dataset" uses the same defaults as a bare `rugnux <file>`, and shows the results of processed CBF, marCCD and SMV sweeps. * jfjoch_viewer: The Files panel refreshes on F5 and every few seconds, and the plot type and other selections stay put during live collection. * jfjoch_writer: Memory stays bounded and old data files are closed efficiently on long runs, any failure ends the run in an error state the broker is told about, and the master file appears only after its data files; the ZeroMQ pusher logs when a stalled writer makes it drop images. * Fixes: The TCP image pusher no longer blocks the broker's receiver, GPU out-of-memory failures stop with a clear message, and the XDS plugin masks module and chip edges. --------- Co-authored-by: Filip Leonarski <jungfrau@filips-mac-mini.home> Reviewed-on: #85 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
97 lines
4.6 KiB
C++
97 lines
4.6 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 <QComboBox>
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#include <QStackedWidget>
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#include <QPushButton>
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#include <optional>
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#include "charts/JFJochDatasetInfoChartView.h"
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#include "../reader/JFJochReader.h"
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#include "image_viewer/JFJochGridScanImage.h"
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#include "widgets/JFJochViewerSidePanelChart.h"
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#include "RunData.h"
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#include "widgets/LiveComboBox.h"
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class JFJochViewerDatasetInfo : public QWidget {
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Q_OBJECT
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LiveComboBox *combo_box;
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JFJochDatasetInfoChartView *chart_view;
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// Second half-height plot under the first, shown only for "Spots + background": the spot
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// count and the background each get their own compact plot instead of sharing twin axes.
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JFJochDatasetInfoChartView *chart_view2;
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QWidget *charts_holder; // the two stacked chart views, as one stack page
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const std::vector<float> *GetDataset();
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std::shared_ptr<const JFJochReaderDataset> dataset; // the active (primary) run
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std::shared_ptr<const JFJochReaderImage> image;
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JFJochGridScanImage *grid_scan_image = nullptr;
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JFJochViewerSidePanelChart *image_chart = nullptr; // per-image profiles (azimuthal, Wilson, ...)
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QVector<RunData> runs_; // all runs, for overlay lines
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QString active_id_; // which run is primary
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std::shared_ptr<const JFJochReaderDataset> live_run_; // in-progress reprocessing, if any
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bool http_connected_ = false; // live source: default the plot to spots + background
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bool user_picked_ = false; // ... unless the user has picked a metric themselves
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QStackedWidget *stack = nullptr;
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QPushButton *reset_button = nullptr;
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QPushButton *grid_button = nullptr;
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QPushButton *image_button = nullptr; // toggle: show per-image profiles instead of the metric
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QPushButton *add_plot_button = nullptr;
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// The button row is sized in character widths, so it follows the font zoom.
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void UpdateButtonWidths();
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int last_selection = 0; // last per-dataset metric, by combo data code
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int last_image_selection = 0; // last per-image plot type, by combo data code
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bool combo_is_image_mode_ = false; // which of the two the combo currently lists
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// Dataset kind (grid scan or not) whose saved favourite is applied; grid scans and standard
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// scans each remember their own plot choice and toggle states across viewer restarts.
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std::optional<bool> favourite_kind_;
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void SaveFavourite(); // persist the current choice for the loaded dataset's kind
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void ApplyFavourite(bool grid_scan); // apply the saved choice for that kind and re-plot
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void UpdatePlot();
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// Rebuild the combo for whichever mode the toggles now select and re-plot. Every mode switch
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// must go through this.
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void ModeChanged();
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void UpdateView(); // pick the stack page from the grid / per-image toggles
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// Pull the metric selected by combo value `val` out of one run's dataset.
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std::vector<float> ExtractMetric(const JFJochReaderDataset &ds, int val, bool &one_over_d2) const;
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void changeEvent(QEvent *event) override;
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void UpdateLabels();
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// Restores the combo selection after UpdateLabels() repopulated it, without firing
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// currentIndexChanged: the callers run UpdatePlot() themselves straight afterwards.
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void RestoreSelection();
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signals:
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void imageSelected(int64_t number, int64_t summation);
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void writeStatusBar(QString string, int timeout_ms = 0);
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void addPlot(); // request another dataset-info plot dock
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public:
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explicit JFJochViewerDatasetInfo(QWidget *parent = nullptr);
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private slots:
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void imageSelectedInChart(int64_t number);
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void comboBoxSelected(int val);
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void resetZoomButtonPressed();
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public slots:
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void datasetLoaded(std::shared_ptr<const JFJochReaderDataset> dataset);
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void imageLoaded(std::shared_ptr<const JFJochReaderImage> image);
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void setColorMap(int color_map);
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// All runs (original + reprocessing snapshots) and which one is active/primary.
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void runsChanged(QVector<RunData> runs, QString active_id);
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// Live results of the in-progress reprocessing run (updated as it goes), or nullptr to clear.
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void liveRunUpdated(std::shared_ptr<const JFJochReaderDataset> dataset);
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// Connected to / disconnected from a live (HTTP) source.
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void setHttpConnection(bool connected, QString addr = QString());
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// "Reset all settings to defaults": back to the state a first load of this dataset would show.
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void resetPlotDefaults();
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};
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