Jungfraujoch/viewer/windows/JFJochViewerMetadataWindow.cpp

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only

#include <QVBoxLayout>
#include <QGroupBox>
#include <QLabel>
#include <QPushButton>
#include <QDialogButtonBox>
#include <QCloseEvent>
#include <QMessageBox>

#include "JFJochViewerMetadataWindow.h"
#include "../../common/JFJochMath.h"

JFJochViewerMetadataWindow::JFJochViewerMetadataWindow(QWidget *parent) : JFJochHelperWindow(parent) {

    setWindowTitle("Dataset metadata");

    QWidget *centralWidget = new QWidget(this);
    setCentralWidget(centralWidget);

    auto mainLayout = new QVBoxLayout(centralWidget);

    auto detectorGroup = new QGroupBox(tr("Diffraction geometry"), this);
    mainLayout->addWidget(detectorGroup);

    auto detectorLayout = new QGridLayout(detectorGroup);

    detectorLayout->addWidget(new QLabel(tr("Detector Distance:")), 0, 0);
    det_distance_mm = new NumberLineEdit(1.0, 10000, 100.0, 2, "mm", this);
    detectorLayout->addWidget(det_distance_mm, 0, 1, 1, 2);

    detectorLayout->addWidget(new QLabel(tr("Wavelength:")), 2, 0);
    wavelength_A = new NumberLineEdit(0.01, 10.0, 1.0, 4, "Å", this);
    detectorLayout->addWidget(wavelength_A, 2, 1, 1, 2);

    auto beam_center_label = new QLabel(tr("Beam center/PONI:"));
    beam_center_label->setToolTip("For tilted geometry, this is point perpendicular to the beam (Point Of Nominal Interaction), not beam center.");
    detectorLayout->addWidget(beam_center_label, 1, 0);
    beam_center_x = new NumberLineEdit(-10000, 10000, 0.0, 2, "pxl", this);
    beam_center_y = new NumberLineEdit(-10000, 10000, 0.0, 2, "pxl", this);
    detectorLayout->addWidget(beam_center_x, 1, 1);
    detectorLayout->addWidget(beam_center_y, 1, 2);

    auto poni_rot1_label = new QLabel(tr("Rotation 1 (PONI):"));
    poni_rot1_label->setToolTip("Rotates detector rightwards");
    detectorLayout->addWidget(poni_rot1_label, 3, 0);
    poni_rot1_deg = new NumberLineEdit(-180, 180, 0.0, 2, "deg", this);
    detectorLayout->addWidget(poni_rot1_deg, 3, 1, 1, 2);

    auto poni_rot2_label = new QLabel(tr("Rotation 2 (PONI):"));
    poni_rot2_label->setToolTip("Rotates detector downwards");
    detectorLayout->addWidget(poni_rot2_label, 4, 0);
    poni_rot2_deg = new NumberLineEdit(-180, 180, 0.0, 2, "deg", this);
    detectorLayout->addWidget(poni_rot2_deg, 4, 1, 1, 2);

    auto poni_rot3_label = new QLabel(tr("Rotation 3 (PONI):"));
    poni_rot3_label->setToolTip("Rotates detector clockwise");
    detectorLayout->addWidget(poni_rot3_label, 5, 0);
    poni_rot3_deg = new NumberLineEdit(-180, 180, 0.0, 2, "deg", this);
    detectorLayout->addWidget(poni_rot3_deg, 5, 1, 1, 2);

    auto unitCellGroup = new QGroupBox(tr("Unit cell"), this);
    mainLayout->addWidget(unitCellGroup);

    auto unitCellLayout = new QGridLayout(unitCellGroup);

    unit_cell_enabled = new QCheckBox(tr("Enable unit cell"), this);
    unit_cell_enabled->setChecked(true); // Default to enabled
    unitCellLayout->addWidget(unit_cell_enabled, 0, 0, 1, 3);

    connect(unit_cell_enabled, &QCheckBox::toggled, this, &JFJochViewerMetadataWindow::toggleUnitCellFields);

    unit_cell_a = new NumberLineEdit(1.0, 10000.0, 39.0, 2, "Å", this);
    unit_cell_b = new NumberLineEdit(1.0, 10000.0, 78.0, 2, "Å", this);
    unit_cell_c = new NumberLineEdit(1.0, 10000.0, 78.0, 2, "Å", this);

    unit_cell_alpha = new NumberLineEdit(15.0, 345.0, 90, 2, "°", this);
    unit_cell_beta = new NumberLineEdit(15.0, 345.0, 90, 2, "°", this);
    unit_cell_gamma = new NumberLineEdit(15.0, 345.0, 90, 2, "°", this);

    unitCellLayout->addWidget(unit_cell_a, 1, 0);
    unitCellLayout->addWidget(unit_cell_b, 1, 1);
    unitCellLayout->addWidget(unit_cell_c, 1, 2);

    unitCellLayout->addWidget(unit_cell_alpha, 2, 0);
    unitCellLayout->addWidget(unit_cell_beta, 2, 1);
    unitCellLayout->addWidget(unit_cell_gamma, 2, 2);

    // Symmetry (optional)
    auto symmGroup = new QGroupBox(tr("Symmetry"), this);
    mainLayout->addWidget(symmGroup);
    auto symmLayout = new QGridLayout(symmGroup);

    space_group_enabled = new QCheckBox(tr("Set space group"), this);
    symmLayout->addWidget(space_group_enabled, 0, 0, 1, 2);

    symmLayout->addWidget(new QLabel(tr("Space group number:")), 1, 0);
    space_group_number = new NumberLineEdit(1, 230, 1, 0, "", this);
    symmLayout->addWidget(space_group_number, 1, 1);

    symmLayout->addWidget(new QLabel(tr("Name:")), 2, 0);
    space_group_name = new QLabel("-", this);
    symmLayout->addWidget(space_group_name, 2, 1);

    connect(space_group_enabled, &QCheckBox::toggled, this, [this](bool en){
        space_group_number->setEnabled(en);
        space_group_name->setEnabled(en);
        updateSpaceGroupName();
    });
    connect(space_group_number, &NumberLineEdit::editingFinished, this, [this](){ updateSpaceGroupName(); });

    auto otherGroup = new QGroupBox(tr("Others"), this);
    mainLayout->addWidget(otherGroup);
    auto otherLayout = new QGridLayout(otherGroup);

    detect_ice_rings = new QCheckBox(tr("Detect Ice Rings"), this);
    detect_ice_rings->setChecked(true);
    otherLayout->addWidget(detect_ice_rings, 0, 0);

    QFrame *line = new QFrame();
    line->setFrameShape(QFrame::HLine);
    line->setFrameShadow(QFrame::Sunken);
    mainLayout->addWidget(line);

    auto *updateButton = new QPushButton("Update");
    connect(updateButton, &QPushButton::clicked, this, &JFJochViewerMetadataWindow::datasetUpdate);
    mainLayout->addWidget(updateButton);
}

void JFJochViewerMetadataWindow::datasetUpdate() {
    if (dataset) {
        try {
            DiffractionExperiment tmp = dataset->experiment;
            tmp.DetectorDistance_mm(det_distance_mm->value());
            tmp.BeamX_pxl(beam_center_x->value());
            tmp.BeamY_pxl(beam_center_y->value());
            tmp.IncidentEnergy_keV(WVL_1A_IN_KEV / wavelength_A->value());
            tmp.PoniRot1_rad(poni_rot1_deg->value() * PI / 180.0);
            tmp.PoniRot2_rad(poni_rot2_deg->value() * PI / 180.0);
            tmp.DetectIceRings(detect_ice_rings->isChecked());

            if (unit_cell_enabled->isChecked()) {
                UnitCell uc;
                uc.a = unit_cell_a->value();
                uc.b = unit_cell_b->value();
                uc.c = unit_cell_c->value();
                uc.alpha = unit_cell_alpha->value();
                uc.beta = unit_cell_beta->value();
                uc.gamma = unit_cell_gamma->value();
                tmp.SetUnitCell(uc);
            } else {
                tmp.SetUnitCell({});
            }

            if (space_group_enabled->isChecked()) {
                int64_t n = static_cast<int64_t>(space_group_number->value());
                tmp.SpaceGroupNumber(n);
            } else {
                tmp.SpaceGroupNumber(std::nullopt);
            }

           emit datasetUpdated(tmp);
        } catch (const std::exception &e) {
            QMessageBox::critical(this, "Error", e.what());
        }
    }
}

void JFJochViewerMetadataWindow::datasetLoaded(std::shared_ptr<const JFJochReaderDataset> in_dataset) {
    dataset = std::move(in_dataset);

    if (!dataset)
        return;

    det_distance_mm->setValue(dataset->experiment.GetDetectorDistance_mm());
    beam_center_x->setValue(dataset->experiment.GetBeamX_pxl());
    beam_center_y->setValue(dataset->experiment.GetBeamY_pxl());
    wavelength_A->setValue(dataset->experiment.GetWavelength_A());
    poni_rot1_deg->setValue(dataset->experiment.GetPoniRot1_rad() * 180.0 / PI);
    poni_rot2_deg->setValue(dataset->experiment.GetPoniRot2_rad() * 180.0 / PI);
    detect_ice_rings->setChecked(dataset->experiment.IsDetectIceRings());

    auto unit_cell = dataset->experiment.GetUnitCell();
    if (unit_cell) {
        unit_cell_enabled->setChecked(true);

        unit_cell_a->setValue(unit_cell->a);
        unit_cell_b->setValue(unit_cell->b);
        unit_cell_c->setValue(unit_cell->c);

        unit_cell_alpha->setValue(unit_cell->alpha);
        unit_cell_beta->setValue(unit_cell->beta);
        unit_cell_gamma->setValue(unit_cell->gamma);
        
        toggleUnitCellFields(true);
    } else {
        unit_cell_enabled->setChecked(false);
        
        toggleUnitCellFields(false);
    }

    // Space group
    auto sg = dataset->experiment.GetSpaceGroupNumber();
    if (sg && *sg >= 1 && *sg <= 230) {
        space_group_enabled->setChecked(true);
        space_group_number->setValue(static_cast<double>(*sg));
    } else {
        space_group_enabled->setChecked(false);
    }
    space_group_number->setEnabled(space_group_enabled->isChecked());
    space_group_name->setEnabled(space_group_enabled->isChecked());
    updateSpaceGroupName();
}

void JFJochViewerMetadataWindow::updateSpaceGroupName() {
    if (!space_group_enabled->isChecked()) {
        space_group_name->setText("-");
        return;
    }
    int n = static_cast<int>(space_group_number->value());
    if (n >= 1 && n <= 230) {
        try {
            const auto& sg = gemmi::get_spacegroup_by_number(n);
            // Hermann–Mauguin short symbol
            space_group_name->setText(QString::fromStdString(sg.short_name()));
        } catch (...) {
            space_group_name->setText(tr("Invalid"));
        }
    } else {
        space_group_name->setText(tr("Invalid"));
    }
}

void JFJochViewerMetadataWindow::toggleUnitCellFields(bool enabled) {
    unit_cell_a->setEnabled(enabled);
    unit_cell_b->setEnabled(enabled);
    unit_cell_c->setEnabled(enabled);
    unit_cell_alpha->setEnabled(enabled);
    unit_cell_beta->setEnabled(enabled);
    unit_cell_gamma->setEnabled(enabled);
}