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Jungfraujoch/viewer/windows/JFJochProcessingJobsWindow.h
leonarski_fandClaude Opus 5 6194fe6fbf
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viewer: calibrate the whole dataset from "Analyze dataset"
The powder panel could only calibrate the image on screen. Calibration is now a
third page beside MX and AzInt, so the dataset button runs it over every image the
same way it runs the other two - which is the point, since a powder ring is
measured far better by summing a run than by one frame.

The page carries the calibrant and the method (rings or spots); the interactive
Guess/Refine buttons stay where they were and now share the one calibrant
selection, so there is no second combo to drift. analyzeDataset() carries the
ProcessMode rather than a bool: a third state was coming, and two bools would have
had one combination that cannot be valid.

The calibrant list gains ICE, which it could not offer before: the widget worked
in unit cells, and hexagonal ice has none that generates its rings correctly
(P6_3/mmc would include systematically absent ones). FindCenter now takes the ring
list its first line used to derive, so the interactive path gets ice as well.

The result window leads with the residual rms rather than the fitted sigma. The
sigma is a formal scatter estimate and understates a bad fit badly - measured on
ice, 0.215 px reported against a 1.70 px residual - while the rms separates a
usable fit from one that has locked onto the wrong thing.

A rings run needs the profile binned in azimuth; below four sectors it returns
nothing at all. The viewer raises the count to 32 exactly as the CLI does, and
says so in the panel and in the job dialog rather than doing it silently.

Also fixes a CLI inconsistency this comparison exposed: rugnux's calibration
branch never applied the standard offline analysis defaults, so it measured the
rings in a profile built with the file's polarization factor while every other
mode - and the viewer - uses 0.99. Found because the two disagreed by 0.005 px in
PONI x, and confirmed by reproducing the viewer exactly with --polarization 0.99.
With it applied the CLI and the viewer write byte-identical .poni files on LaB6
by rings, LaB6 by spots, and an iced dataset over 1800 images.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-07 10:45:39 +02:00

122 lines
6.0 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);
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<int64_t> space_group_number; // 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
// 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)
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_;
};