Files
Jungfraujoch/viewer/windows/JFJochProcessingJobsWindow.h
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leonarski_fandClaude Opus 5.5 359e749074 viewer: subscripted space group and a pathology checklist in the merge window
The space-group hero card (and the "indistinguishable" line) render the short
Hermann-Mauguin symbol as rich text: screw axes subscripted, rotoinversions
overlined (P2_1/c, P4_12_12, Fd-3m). It is built from gemmi's spaced symbol
with short_name()'s monoclinic shortening applied; checked against all 564
gemmi settings to reduce to short_name() once the markup is stripped.

The report's SUMMARY now also records its pathology rows as typed checks
(ReportDocument::checks): PRESENT exactly when one of the row's codes is in
PATHOLOGY_FLAGS, ABSENT when it was measured and did not fire, UNDETERMINED
when it could not be measured. A flag no row stands for gets a check named
after its code, so the list never shows less than PATHOLOGY_FLAGS. The text
report is unchanged. The viewer builds the document once, renders the text
from it and shows the checks phenix.xtriage-style: a green/red/grey light per
pathology, the summary words and fired warnings in the tooltip.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
2026-10-03 21:34:10 +02:00

127 lines
6.6 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <QElapsedTimer>
#include <QString>
#include <QWidget>
#include <cstdint>
#include <optional>
#include <vector>
#include "../JFJochProcessController.h"
#include "../JFJochImageReadingWorker.h" // ReprocessingInputs
#include "../widgets/PowderCalibrationWidget.h" // CalibrationSelection
class QTableWidget;
class QProgressBar;
class QStackedWidget;
class QToolBar;
class QToolButton;
// Makes processing a first-class GUI activity: a dockable panel with a table of processing jobs run
// on the current dataset. A job can be run locally (off the GUI thread, via JFJochProcessController)
// or its rugnux command line copied for a cluster. A finished local run is registered as a
// reader snapshot so its results become a selectable view of the dataset. Re-processing reads a
// stored HDF5 file, so the panel shows an explanatory message while connected to a live HTTP stream.
class JFJochProcessingJobsWindow : public QWidget {
Q_OBJECT
public:
explicit JFJochProcessingJobsWindow(JFJochImageReadingWorker *worker, QWidget *parent = nullptr);
signals:
void registerSnapshot(QString id, QString label, QString master_path);
void activateSnapshot(QString id);
void renameRun(QString id, QString label);
void removeRun(QString id);
void writeStatusBar(QString message, int timeout_ms = 0);
// Live per-image results while a job runs, for the dataset-info plots (nullptr clears it).
void liveDataset(std::shared_ptr<const JFJochReaderDataset> dataset);
void jobStarted(); // a reprocessing job was launched — reveal the (hidden-by-default) panel
public slots:
void onHttpConnectionChanged(bool connected, QString addr);
void clearJobs(); // reset the table on a new file (re-adds the Original row)
void setActiveRun(QString active_id); // bold the row of the run currently shown in the plots
// The panel's "Analyze dataset" action; the mode is the panel's selected page. The calibrant
// selection is only used by ProcessMode::Calibration.
void newJob(ProcessMode mode = ProcessMode::FullAnalysis, CalibrationSelection calibration = {});
private slots:
void cancelJob();
void removeResult();
void viewResults();
void onPhase(QString phase);
void onProgress(quint64 done, quint64 total);
void onFinished(ProcessResult result, QString report, std::vector<ReportCheck> checks);
void onFailed(QString error);
private:
struct JobInfo {
QString id; // stable reader-snapshot key
QString label; // editable display name (legend / table)
QString snapshot_path; // empty unless saved
bool has_result = false;
// Merge statistics captured when a scaling/merging job finished (drive the analysis window).
bool has_merge_stats = false;
MergeStatistics merge_stats;
double isa = 0.0;
bool merge_has_reference = false;
TwinningAnalysisResult twinning; // twinning test of the merged intensities
std::optional<gemmi::SpaceGroup> space_group; // final space group (searched or fixed)
std::optional<SearchSpaceGroupResult> space_group_search; // ranked candidates, when a search ran
std::vector<std::pair<float, float>> merged_i_sigma; // ISa diagnostic scatter
QString report; // the rugnux result report text (a section of the window)
std::vector<ReportCheck> checks; // the report's pathology checklist
// Detector calibration result (Calibration mode): the fit, the header geometry it is compared
// against, and where the .poni was written.
std::optional<CalibrationResult> calibration;
std::optional<DiffractionGeometry> calibration_header;
QString poni_path;
QToolButton *graph_btn = nullptr; // per-row "show statistics" button (enabled once stats exist)
};
struct JobSpec {
ProcessMode mode = ProcessMode::FullAnalysis;
int start_image = 0;
int end_image = 0; // 0 == to the end
int threads = 4;
bool save_h5 = true; // write the per-image _process.h5 (also drives the viewer snapshot)
bool save_merged = true; // write the merged .mtz/.cif
QString prefix;
bool rotation = false;
int rotation_images = 30; // images used to find the rotation lattice (first pass)
bool scaling = false;
bool refine_geometry = false; // stills-only global geometry bundle-adjust (needs a known cell)
int refine_geometry_frames = 200; // strong indexed frames fed to that bundle adjustment
bool rotation_postrefine = true; // rotation-only two-pass geometry post-refine (default on)
bool detect_beam_stop = true; // project frames and mask the beam-stop shadow (default on)
int detect_beam_stop_frames = 60; // frames projected to find it
bool estimate_beam_center = false; // measure the direct beam in the same pre-scan (default off)
CalibrationSelection calibration; // Calibration mode: calibrant rings + rings/spots method
};
// Returns 0 = cancel, 1 = run locally, 2 = copy command line; fills spec from the dialog.
int askJob(const ReprocessingInputs &inputs, JobSpec &spec);
ProcessConfig buildConfig(const JobSpec &spec, const ReprocessingInputs &inputs) const;
void setStatus(int row, const QString &text);
void addOriginalRow(); // the file's own data as the first, always-present run
void addRowActions(int row, const QString &id); // per-row graph (stats) + trash (remove) buttons
void showStats(const QString &id); // open the merge-statistics window for a run
void removeRunById(const QString &id); // remove a run from the table + reader
JFJochImageReadingWorker *worker_;
JFJochProcessController *controller_;
// The experiment a running calibration job was launched with: WritePoniFile needs the detector
// size and wavelength from it once the fit comes back.
DiffractionExperiment calibration_experiment_;
QToolBar *toolbar_;
QStackedWidget *stack_; // page 0: jobs table, page 1: HTTP-mode message
QTableWidget *table_;
QProgressBar *running_bar_ = nullptr; // lives in the running row's Status cell
QElapsedTimer job_timer_; // running job wall-clock, for rate + ETA
int running_row_ = -1;
int job_counter_ = 0;
std::vector<JobInfo> jobs_;
};