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* jfjoch_broker: Optional per-dataset authentication - statistics, images and plots can require a bearer token, which jfjoch_viewer supports. * jfjoch_viewer: Dark mode and a theme-matched colour scheme, a magnifier panel, and simpler contrast and background controls. * Rugnux: Multiple performance improvements on GPU and CPU (CPU-only processing up to 40% faster, faster image decoding on ARM), with unchanged results. * Rugnux: `--model` rigid-body refinement runs on the GPU, and the model-validation check is faster and more reliable. * Rugnux: Improved scaling and merging - error model, outlier rejection, absorption correction and French-Wilson amplitudes now agree more closely with XDS and ctruncate. * Rugnux: Improved integration - radial background on powder and ice rings, crowded rotation data keep their reflections, and CPU-only builds integrate large unit cells as GPU builds do. * Rugnux: More robust detector geometry - measured beam centre, X-ray bandwidth and goniometer rate, and geometry refinement accepted only on significant evidence. * Rugnux: Merged files are written in the standard setting, or in the setting of a reference MTZ, structure-factor mmCIF or model, with its free-R flags. * Rugnux: Richer report - ice and powder rings, further lattices, superstructure candidates and mosaicity, with warnings worded as prompts to check. * Rugnux: Clear error messages when a data set needs more GPU or host memory than is available. Reviewed-on: #83 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
142 lines
5.1 KiB
C++
142 lines
5.1 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 "JFJochViewerSpotListWindow.h"
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#include <QVBoxLayout>
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#include <QHeaderView>
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JFJochViewerSpotListWindow::JFJochViewerSpotListWindow(QWidget* parent)
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: JFJochHelperWindow(parent) {
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QWidget* centralWidget = new QWidget(this);
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setCentralWidget(centralWidget);
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QVBoxLayout* layout = new QVBoxLayout(centralWidget);
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tableView = new QTableView(this);
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tableModel = new QStandardItemModel(this);
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setupTableModel();
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proxyModel = new QSortFilterProxyModel(this);
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proxyModel->setSourceModel(tableModel);
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proxyModel->setSortRole(Qt::UserRole); // numeric sort based on UserRole
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tableView->setModel(proxyModel);
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tableView->sortByColumn(2, Qt::DescendingOrder); // default: Intensity desc
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tableView->setEditTriggers(QAbstractItemView::NoEditTriggers);
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tableView->setSortingEnabled(true);
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tableView->verticalHeader()->setVisible(false);
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tableView->horizontalHeader()->setSectionsClickable(true);
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tableView->horizontalHeader()->setSortIndicatorShown(true);
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tableView->setSelectionBehavior(QAbstractItemView::SelectRows);
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tableView->setSelectionMode(QAbstractItemView::SingleSelection);
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tableView->horizontalHeader()->setSectionResizeMode(QHeaderView::Stretch);
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layout->addWidget(tableView);
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setWindowTitle("Observed spots");
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resize(800, 600);
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connect(tableView, &QTableView::doubleClicked,
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this, &JFJochViewerSpotListWindow::onTableRowDoubleClicked);
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}
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void JFJochViewerSpotListWindow::setupTableModel()
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{
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// Columns: 0..11
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tableModel->setColumnCount(12);
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tableModel->setHeaderData(0, Qt::Horizontal, "#");
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tableModel->setHeaderData(1, Qt::Horizontal, "x");
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tableModel->setHeaderData(2, Qt::Horizontal, "y");
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tableModel->setHeaderData(3, Qt::Horizontal, "Intensity");
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tableModel->setHeaderData(4, Qt::Horizontal, "Max value");
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tableModel->setHeaderData(5, Qt::Horizontal, "d [Å]");
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tableModel->setHeaderData(6, Qt::Horizontal, "Ice ring");
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tableModel->setHeaderData(7, Qt::Horizontal, "Indexed");
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tableModel->setHeaderData(8, Qt::Horizontal, "h");
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tableModel->setHeaderData(9, Qt::Horizontal, "k");
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tableModel->setHeaderData(10, Qt::Horizontal, "l");
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tableModel->setHeaderData(11, Qt::Horizontal, "Dist. Ewald [Å^-1]");
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}
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void JFJochViewerSpotListWindow::addSpotRow(int index, const SpotToSave& s) {
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QList<QStandardItem*> row;
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auto mkNum = [](const QVariant& userValue, const QString& displayText = QString()) {
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auto* it = new QStandardItem();
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if (displayText.isEmpty()) {
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it->setData(userValue, Qt::DisplayRole);
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} else {
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it->setData(displayText, Qt::DisplayRole);
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}
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it->setData(userValue, Qt::UserRole);
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it->setTextAlignment(Qt::AlignRight | Qt::AlignVCenter);
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return it;
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};
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row.append(mkNum(index));
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// x (two decimals, right-aligned, numeric sort on value)
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row.append(mkNum(static_cast<double>(s.x), QString::number(s.x, 'f', 2)));
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// y (two decimals, right-aligned, numeric sort on value)
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row.append(mkNum(static_cast<double>(s.y), QString::number(s.y, 'f', 2)));
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// Intensity (right-aligned)
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row.append(mkNum(static_cast<double>(s.intensity)));
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// Max value (right-aligned)
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row.append(mkNum(static_cast<qlonglong>(s.maxc)));
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// d_A (right-aligned)
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row.append(mkNum(static_cast<double>(s.d_A)));
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// Ice ring (text)
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{
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auto* it = new QStandardItem(s.ice_ring ? "Yes" : "No");
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it->setData(s.ice_ring ? 1 : 0, Qt::UserRole); // add numeric sort key
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row.append(it);
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}
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// Indexed (text)
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{
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auto* it = new QStandardItem(s.indexed ? "Yes" : "No");
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it->setData(s.indexed ? 1 : 0, Qt::UserRole); // add numeric sort key
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row.append(it);
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}
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// h (right-aligned)
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row.append(mkNum(static_cast<qlonglong>(s.h)));
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// k (right-aligned)
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row.append(mkNum(static_cast<qlonglong>(s.k)));
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// l (right-aligned)
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row.append(mkNum(static_cast<qlonglong>(s.l)));
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// dist_ewald_sphere (right-aligned)
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row.append(mkNum(static_cast<double>(s.dist_ewald_sphere)));
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tableModel->appendRow(row);
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}
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void JFJochViewerSpotListWindow::datasetLoaded(std::shared_ptr<const JFJochReaderDataset> dataset) {
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image = {};
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tableModel->removeRows(0, tableModel->rowCount());
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}
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void JFJochViewerSpotListWindow::imageLoaded(std::shared_ptr<const JFJochReaderImage> in_image) {
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tableModel->removeRows(0, tableModel->rowCount());
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image = in_image;
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if (image) {
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for (int i = 0; i < image->ImageData().spots.size(); ++i)
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addSpotRow(i, image->ImageData().spots[i]);
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}
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}
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void JFJochViewerSpotListWindow::onTableRowDoubleClicked(const QModelIndex& index) {
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if (!index.isValid())
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return;
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QModelIndex src = proxyModel->mapToSource(index);
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int spotIndex = src.row();
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if (!image)
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return;
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if (spotIndex >= 0 && spotIndex < image->ImageData().spots.size())
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emit zoom(QPointF(image->ImageData().spots[spotIndex].x, image->ImageData().spots[spotIndex].y));
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}
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