Jungfraujoch/viewer/widgets/PowderCalibrationWidget.cpp

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

#include "PowderCalibrationWidget.h"
#include <QPushButton>
#include <QGridLayout>
#include <QLabel>
#include "../../common/JFJochMath.h"

#include "../image_analysis/geom_refinement/AssignSpotsToRings.h"

PowderCalibrationWidget::PowderCalibrationWidget(QWidget *parent) : QWidget(parent) {
    auto layout = new QVBoxLayout(this);

    calibrantCombo = new QComboBox(this);
    updateCalibrantList();

    auto findBeamCenterButton = new QPushButton("Guess detector calibration", this);
    connect(findBeamCenterButton, &QPushButton::clicked,this, &PowderCalibrationWidget::findBeamCenterClicked);

    auto optimizeBeamCenterButton = new QPushButton("Refine detector calibration", this);
    connect(optimizeBeamCenterButton, &QPushButton::clicked,this, &PowderCalibrationWidget::optimizeBeamCenterClicked);

    auto calibrantRingsButton = new QPushButton("Display calibrant rings", this);
    connect(calibrantRingsButton, &QPushButton::clicked, this, [this]() {
        std::vector<float> rings = CalculateXtalRings(GetCalibrant(), 10);
        QVector<float> q_rings;
        for (float ring : rings) {
            q_rings.append(2 * PI / ring);
        }
        emit ringsFromCalibration(q_rings);
    });

    auto refine_row = new QGridLayout();
    refine_row->setSpacing(12);
    refine_row->addWidget(new QLabel("Calibrant:"),0,0);
    refine_row->addWidget(calibrantCombo,0,1);
    refine_row->addWidget(findBeamCenterButton,1, 0);
    refine_row->addWidget(optimizeBeamCenterButton,1, 1);

    refine_row->addWidget(calibrantRingsButton,2, 0);

    layout->addLayout(refine_row);
    setLayout(layout);
}

UnitCell PowderCalibrationWidget::GetCalibrant() const {
    UnitCell uc(LAB6_CELL_A, LAB6_CELL_A, LAB6_CELL_A, 90, 90, 90);
    switch (calibrantCombo->currentIndex()) {
        case 1:
            // T. C. Huang , H. Toraya, T. N. Blanton, Y. Wu, J. Appl. Cryst. 26 (1993), 180-184.
            uc = UnitCell(5.1769, 4.7218, 58.380, 89.440, 89.634, 75.854);
            break;
        case 2:
            // CeO2, cubic fluorite (a = 5.4115 Å), NIST SRM 674b.
            uc = UnitCell(5.4115, 5.4115, 5.4115, 90, 90, 90);
            break;
        case 3:
            // Silicon, cubic (a = 5.43102 Å), NIST SRM 640.
            uc = UnitCell(5.43102, 5.43102, 5.43102, 90, 90, 90);
            break;
        case 4:
            if (sample_cell)
                uc = sample_cell.value();
            break;
        default:
            break;
    }
    return uc;
}

void PowderCalibrationWidget::updateCalibrantList() {
    calibrantCombo->clear();

    calibrantCombo->addItem("LaB6");
    calibrantCombo->addItem("Silver Behenate");
    calibrantCombo->addItem("CeO2");
    calibrantCombo->addItem("Silicon");
    if (sample_cell)
        calibrantCombo->addItem(QString("Current sample (%1 %2 %3 %4 %5 %6)")
            .arg(QString::number(sample_cell->a, 'f', 1))
            .arg(QString::number(sample_cell->b, 'f', 1))
            .arg(QString::number(sample_cell->c, 'f', 1))
            .arg(QString::number(sample_cell->alpha, 'f', 1))
            .arg(QString::number(sample_cell->beta, 'f', 1))
            .arg(QString::number(sample_cell->gamma, 'f', 1)));
    calibrantCombo->setCurrentIndex(0);
}

void PowderCalibrationWidget::loadImage(std::shared_ptr<const JFJochReaderImage> image) {
    if (image)
        sample_cell = image->Dataset().experiment.GetUnitCell();
    updateCalibrantList();
}

void PowderCalibrationWidget::findBeamCenterClicked() {
    emit findBeamCenter(GetCalibrant(), true);
}

void PowderCalibrationWidget::optimizeBeamCenterClicked() {
    emit findBeamCenter(GetCalibrant(), false);
}