Jungfraujoch/viewer/widgets/JFJochViewerImageStatistics.cpp

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

#include "JFJochViewerImageStatistics.h"
#include "../../common/time_utc.h"
#include <QFormLayout>
#include <QRegularExpression>

// Two aligned rows - the lengths over their angles, so that alpha sits below a, beta below b,
// gamma below c. Qt's rich text does not inherit a surrounding colour into a table, so the
// colour is applied per cell.
static QString mkUnitCell(const UnitCell &uc, const char *color = nullptr) {
    const QString style = color ? QString(" style=\"color: %1;\"").arg(color) : QString();
    auto num = [&style](double v) {
        // Padded to three integer digits with figure spaces (digit-wide), so the columns hold
        // still as values change magnitude; no axis reaches 1000 Å and no angle 1000°.
        QString s = QString::number(v, 'f', 1);
        while (s.size() < 5)
            s.prepend(QChar(0x2007));
        return QString("<td align=\"right\"%1><b>%2</b>&nbsp;&nbsp;</td>")
                .arg(style).arg(s);
    };
    auto unit = [&style](const char *u) {
        return QString("<td%1>%2</td>").arg(style).arg(u);
    };
    return "<table cellspacing=\"0\" cellpadding=\"0\"><tr>"
           + num(uc.a) + num(uc.b) + num(uc.c) + unit("Å")
           + "</tr><tr>"
           + num(uc.alpha) + num(uc.beta) + num(uc.gamma) + unit("°")
           + "</tr></table>";
}

static QString mkSourceInstrumentText(const DiffractionExperiment& exp) {
    QString src, inst;
    const auto &m = exp.GetInstrumentMetadata();
    if (!m.GetSourceName().empty()) src = QString::fromStdString(m.GetSourceName());
    if (!m.GetInstrumentName().empty()) inst = QString::fromStdString(m.GetInstrumentName());

    if (!src.isEmpty() && !inst.isEmpty()) return src + " / " + inst;
    if (!src.isEmpty()) return src;
    if (!inst.isEmpty()) return inst;
    return QString("-");
}

static QString mkSourceInstrumentTooltip(const DiffractionExperiment &exp) {
    QStringList tooltips;

    if (exp.GetRingCurrent_mA().has_value()) {
        tooltips << QString("Ring current: <b>%1</b> mA").arg(exp.GetRingCurrent_mA().value(), 0, 'f', 2);
    }

    if (exp.GetTotalFlux().has_value()) {
        tooltips << QString("Total flux: <b>%1</b> ph/s").arg(exp.GetTotalFlux().value(), 0, 'e', 2);
    }

    if (exp.GetAttenuatorTransmission().has_value()) {
        tooltips << QString("Attenuation: <b>%1</b>").arg(exp.GetAttenuatorTransmission().value(), 0, 'f', 3);
    }

    return tooltips.join("<br/>");
}

static QString mkSampleText(const DiffractionExperiment& exp) {
    const auto& name = exp.GetSampleName();
    return name.empty() ? QString("-") : QString::fromStdString(name);
}

static QString mkSampleTooltip(const DiffractionExperiment& exp) {
    if (exp.GetSampleTemperature_K().has_value()) {
        return QString("Sample temperature: <b>%1</b> K").arg(exp.GetSampleTemperature_K().value(), 0, 'f', 2);
    }
    return QString();
}

static QString mkSymmetry(const LatticeMessage& sym) {
    QString text("Bravais lattice: <b>");
    switch (sym.crystal_system) {
        case gemmi::CrystalSystem::Triclinic:
            text += "a";
            break;
        case gemmi::CrystalSystem::Monoclinic:
            text += "m";
            break;
        case gemmi::CrystalSystem::Orthorhombic:
            text += "o";
            break;
        case gemmi::CrystalSystem::Tetragonal:
            text += "t";
            break;
        case gemmi::CrystalSystem::Hexagonal:
            text += "h";
            break;
        case gemmi::CrystalSystem::Cubic:
            text += "c";
            break;
        default: ;
    }
    text += QString(sym.centering) + "</b><br/>";
    text += QString("Niggli class <b>%1</b><br/>").arg(sym.niggli_class);
    return text;
}

JFJochViewerImageStatistics::JFJochViewerImageStatistics(QWidget *parent) : QWidget(parent) {
    QFormLayout* layout = new QFormLayout(this);

    // Order: what the dataset is, then how it was collected, then what this image contains.
    // A dataset name is long and wraps: keep three lines of room from the start, so the rows below
    // do not jump as one dataset's name wraps further than the next one's.
    dataset_name = new QLabel(this);
    dataset_name->setWordWrap(true);
    dataset_name->setAlignment(Qt::AlignTop | Qt::AlignLeft);
    dataset_name->setMinimumHeight(3 * fontMetrics().lineSpacing());
    auto *dataset_name_label = new QLabel("Dataset:");
    dataset_name_label->setAlignment(Qt::AlignTop | Qt::AlignLeft);
    layout->addRow(dataset_name_label, dataset_name);

    collection_time = new QLabel(this);
    collection_time->setWordWrap(true);
    layout->addRow(new QLabel("Collection time:"), collection_time);

    source_name = new QLabel(this);
    layout->addRow("Source / Instrument:", source_name);

    sample_name = new QLabel(this);
    layout->addRow("Sample:", sample_name);

    detector_name = new QLabel(this);
    layout->addRow(new QLabel("Detector:"), detector_name);

    detector_distance = new QLabel(this);
    layout->addRow(new QLabel("Detector distance:"), detector_distance);

    beam_center = new QLabel(this);
    layout->addRow(new QLabel("Beam center:"), beam_center);

    wavelength = new QLabel(this);
    layout->addRow(new QLabel("Wavelength:"), wavelength);

    exposure_time = new QLabel(this);
    layout->addRow(new QLabel("Exposure Time:"), exposure_time);

    rotation_angle_label = new QLabel(this);
    rotation_angle = new QLabel(this);
    layout->addRow(rotation_angle_label, rotation_angle);

    // Sample-head angles that do not move during a run (an SLS Smargon writes chi and phi). Both
    // labels stay empty for a file that carries none, so the row costs nothing where it means nothing.
    smargon_label = new QLabel(this);
    smargon_angles = new QLabel(this);
    layout->addRow(smargon_label, smargon_angles);

    valid_values = new QLabel(this);
    layout->addRow(new QLabel("Valid values:"), valid_values);

    masked_pixels = new QLabel(this);
    layout->addRow(new QLabel("Masked pixels:"), masked_pixels);

    spots = new QLabel(this);
    layout->addRow(new QLabel("Spots:"), spots);

    bkg_estimate = new QLabel(this);
    layout->addRow(new QLabel("Background:"), bkg_estimate);

    indexed = new QLabel(this);
    layout->addRow(new QLabel("Indexing:"), indexed);

    multiple_lattices = new QLabel(this);
    layout->addRow(multiple_lattices);

    res_estimate = new QLabel(this);
    layout->addRow(new QLabel("Resolution estimate:"), res_estimate);

    profile_radius_label = new QLabel("");
    profile_radius = new QLabel(this);
    layout->addRow(profile_radius_label, profile_radius);
}

QString TrimZeros(double number, int precision) {
    auto s = QString::number(number, 'f', precision);
    s.remove(QRegularExpression("\\.?0+$"));
    if (s.isEmpty()) s = "0";
    return s;
}

template <typename Duration>
QString FormatTime(Duration time, int precision = 6) {
    return TrimZeros(std::chrono::duration<float>(time).count(), precision);
}

void JFJochViewerImageStatistics::loadImage(std::shared_ptr<const JFJochReaderImage> image) {
    if (!image) {
        source_name->setText("");
        sample_name->setText("");
        dataset_name->setText("");
        collection_time->setText("");
        detector_name->setText("");
        detector_name->setToolTip("");
        detector_distance->setText("");
        beam_center->setText("");
        wavelength->setText("");
        wavelength->setToolTip("");
        exposure_time->setText("");
        exposure_time->setToolTip("");
        rotation_angle->setText("");
        rotation_angle->setToolTip("");
        rotation_angle_label->setText("");
        smargon_label->setText("");
        smargon_angles->setText("");
        valid_values->setText("");
        valid_values->setToolTip("");
        spots->setText("");
        bkg_estimate->setText("");
        indexed->setText("");
        indexed->setToolTip("");
        multiple_lattices->setText("");
        profile_radius_label->setText("");
        profile_radius->setText("");
        profile_radius->setToolTip("");
        res_estimate->setText("");
        masked_pixels->setText("");
        masked_pixels->setToolTip("");
        return;
    }

    QString text;

    auto &exp = image->Dataset().experiment;

    // Word wrap never breaks inside a word, and a dataset name is one long word. A zero-width space
    // is a break opportunity the wrap takes only when it needs one, so marking "/" first, then "_",
    // then every few characters of a run with neither, wraps at a path separator where one fits, at
    // an underscore next, and mid-name only for a component too long to fit a line at all.
    const QChar zwsp(0x200B);
    QString path;
    int run = 0;   // characters since the last break opportunity
    for (const QChar c: QString::fromStdString(exp.GetFilePrefix())) {
        path.append(c);
        if (c == '/' || c == '_') {
            path.append(zwsp);
            run = 0;
        } else if (++run >= 12) {
            path.append(zwsp);
            run = 0;
        }
    }
    text = QString("<b>%1</b>").arg(path);
    dataset_name->setText(text);

    const QString collected = QString::fromStdString(utc_to_local_human_readable(image->Dataset().arm_date));
    collection_time->setText(collected.isEmpty() ? QString("-") : QString("<b>%1</b>").arg(collected));

    detector_distance->setText(QString("<b>%1</b> mm").arg(QString::number(exp.GetDetectorDistance_mm(), 'f', 3)));

    beam_center->setText(QString("<b>%1</b> <b>%2</b> pxl")
        .arg(QString::number(exp.GetBeamX_pxl(), 'f', 2))
        .arg(QString::number(exp.GetBeamY_pxl(), 'f', 2)));

    wavelength->setText(QString("<b>%1</b> Å").arg(QString::number(exp.GetWavelength_A(), 'f', 4)));
    wavelength->setToolTip(QString("Energy: <b>%1</b> eV")
        .arg(QString::number(exp.GetIncidentEnergy_keV() * 1000.0, 'f', 0)));

    text = QString("<b>%1</b>").arg(QString::fromStdString(exp.GetDetectorDescription()));
    detector_name->setToolTip(QString("Width: <b>%1</b> pxl (<b>%2</b> mm)<br/>Height: <b>%3</b> pxl (<b>%4</b> mm)<br/>Pixel size: <b>%5</b> μm")
            .arg(QString::number(exp.GetXPixelsNum()))
            .arg(QString::number(exp.GetXPixelsNum() * exp.GetPixelSize_mm(), 'f', 3))
            .arg(QString::number(exp.GetYPixelsNum()))
            .arg(QString::number(exp.GetYPixelsNum() * exp.GetPixelSize_mm(), 'f', 3))
            .arg(QString::number(exp.GetPixelSize_mm() * 1000.0, 'f', 0)));
    detector_name->setText(text);

    source_name->setText(QString("<b>%1</b>").arg(mkSourceInstrumentText(exp)));
    source_name->setToolTip(mkSourceInstrumentTooltip(exp));

    sample_name->setText(QString("<b>%1</b>").arg(mkSampleText(exp)));
    sample_name->setToolTip(mkSampleTooltip(exp));

    if (exp.GetGoniometer()) {
        // An axis that is present but does not turn has no wedge to add: state the angle it stands at.
        const float wedge = exp.GetGoniometer()->GetWedge_deg();
        const QString angle = TrimZeros(exp.GetGoniometer()->GetAngle_deg(image->ImageData().number), 3);
        rotation_angle_label->setText("Goniometer angle:");
        rotation_angle->setText(wedge == 0.0f
            ? QString("<b>%1°</b>").arg(angle)
            : QString("<b>%1° + %2°</b>").arg(angle).arg(TrimZeros(wedge, 3)));
        rotation_angle->setToolTip(QString("Start angle: <b>%1°</b><br/>Increment: <b>%2°</b>")
            .arg(TrimZeros(exp.GetGoniometer()->GetStart_deg(), 3))
            .arg(TrimZeros(exp.GetGoniometer()->GetIncrement_deg(), 3))
        );
    } else if (exp.GetGridScan()) {
        rotation_angle_label->setText("Grid scan:");
        rotation_angle->setText(QString("<b>%1</b> x <b>%2</b> μm")
            .arg(QString::number(exp.GetGridScan()->GetGridStepX_um(), 'f', 1))
            .arg(QString::number(exp.GetGridScan()->GetGridStepY_um(), 'f', 1)));
        rotation_angle->setToolTip(QString("Grid size: <b>%1</b> x <b>%2</b> μm<br/>"
                "Grid elements: <b>%3</b> x <b>%4</b>")
            .arg(QString::number(exp.GetGridScan()->GetGridSizeX_um()))
            .arg(QString::number(exp.GetGridScan()->GetGridSizeY_um()))
            .arg(QString::number(exp.GetGridScan()->GetGridSizeX_step()))
            .arg(QString::number(exp.GetGridScan()->GetGridSizeY_step())));
    } else {
        rotation_angle_label->setText("");
        rotation_angle->setText(QString(""));
        rotation_angle->setToolTip("");
    }

    if (const auto head = exp.GetDatasetSettings().GetSmargonPosition()) {
        // One decimal, and an angle that rounds to zero reads "0.0" - a stage that sits a hundredth
        // of a degree below zero should not be reported as "-0.0".
        auto head_angle = [](float deg) {
            return QString::number(std::abs(deg) < 0.05f ? 0.0f : deg, 'f', 1);
        };
        smargon_label->setText("Smargon:");
        smargon_angles->setText(QString("chi <b>%1</b>° / phi <b>%2</b>°")
            .arg(head_angle(head->chi_deg))
            .arg(head_angle(head->phi_deg)));
    } else {
        smargon_label->setText("");
        smargon_angles->setText("");
    }

    exposure_time->setText(QString("<b>%1</b> s").arg(FormatTime(exp.GetImageTime())));
    exposure_time->setToolTip(QString("Count time: <b>%1</b> s<br/>").arg(FormatTime(exp.GetImageCountTime())));

    text = QString("<b>%1</b>").arg(image->ImageData().spots.size());
    spots->setText(text);
    if (image->ImageData().spot_count.has_value())
        spots->setToolTip(QString("Unfiltered (total): <b>%1</b> <br/>Low resolution: <b>%2</b><br/>Ice ring: <b>%3</b><br/>Indexed <b>%4</b><br/>")
            .arg(image->ImageData().spot_count.value())
            .arg(image->ImageData().spot_count_low_res.value_or(0))
            .arg(image->ImageData().spot_count_ice_rings.value_or(0))
            .arg(image->ImageData().spot_count_indexed.value_or(0)));

    auto mm = image->ValidMinMax();
    if (mm.has_value()) {
        text = QString("<b>%1</b> - <b>%2</b>")
                .arg(mm->first)
                .arg(mm->second);
        valid_values->setText(text);
    } else {
        valid_values->setText("N/A");
    }
    valid_values->setToolTip(QString("Error pixels: <b>%1</b><br/>Saturated pixels: <b>%2</b>")
        .arg(image->ErrorPixels().size()).arg(image->SaturatedPixels().size()));

    if (!image->Dataset().bkg_estimate.empty()) {
        text = QString("<b>%1</b>").arg(image->ImageData().bkg_estimate.value_or(0));
        bkg_estimate->setText(text);
    } else {
        bkg_estimate->setText("N/A");
    }

    auto pr = image->ImageData().profile_radius;
    auto mos = image->ImageData().mosaicity_deg;
    if (mos && std::isfinite(mos.value())) {
        text = QString("<b>%1</b>°").arg(QString::number(mos.value(), 'f', 2));
        profile_radius_label->setText("Mosaicity:");
        profile_radius->setText(text);
        if (pr && std::isfinite(pr.value())) {
            text = QString("Profile radius <b>%1</b> Å<sup>-1</sup>").arg(QString::number(pr.value(), 'f', 6));
            profile_radius->setToolTip(text);
        } else
            profile_radius->setToolTip("");
    } else if (pr && std::isfinite(pr.value()))  {
        profile_radius_label->setText("Profile radius:");
        text = QString("<b>%1</b> Å<sup>-1</sup>").arg(QString::number(pr.value(), 'f', 6));
        profile_radius->setText(text);
        profile_radius->setToolTip("");
    } else {
        profile_radius_label->setText("");
        profile_radius->setText("");
        profile_radius->setToolTip("");
    }

    auto res = image->ImageData().resolution_estimate;
    if (res && std::isfinite(res.value())) {
        text = QString("<b>%1</b> Å").arg(QString::number(res.value(), 'f', 2));
        res_estimate->setText(text);
    } else {
        res_estimate->setText("N/A");
    }

    float total_pixels = image->Dataset().experiment.GetPixelsNum();
    if (total_pixels == 0)
        total_pixels = 1;

    auto mask_stats = image->Dataset().pixel_mask->GetStatistics();
    text = QString("<b>%1</b>").arg(mask_stats.total_masked);
    masked_pixels->setText(text);
    masked_pixels->setToolTip(
        QString(
            "Error pixels: <b>%1</b> (%2 %)<br/> Noisy pixels: <b>%3</b> (%4 %) <br/> User mask: <b>%5</b> (%6 %)<br/>"
            "Chip gaps: <b>%7</b> (%8 %)<br/>"
            "Non active area (module gap and fill): <b>%9</b> (%10 %)")
        .arg(mask_stats.error_pixel).arg(QString::number(mask_stats.error_pixel / total_pixels * 100.0, 'f', 1))
        .arg(mask_stats.noisy_pixel).arg(QString::number(mask_stats.noisy_pixel / total_pixels * 100.0, 'f', 1))
        .arg(mask_stats.user_mask).arg(QString::number(mask_stats.user_mask / total_pixels * 100.0, 'f', 1))
        .arg(mask_stats.chip_gap_pixel).arg(QString::number(mask_stats.chip_gap_pixel / total_pixels * 100.0, 'f', 1))
        .arg(mask_stats.module_gap_pixel).arg(QString::number(mask_stats.module_gap_pixel / total_pixels * 100.0, 'f', 1))
    );

    if (!image->Dataset().indexing_result.empty()) {
        QString tooltip;

        auto latt = image->ImageData().indexing_lattice;
        if (latt) {
            text = mkUnitCell(latt->GetUnitCell(), "purple");

            auto vec0 = latt->Vec0();
            auto vec1 = latt->Vec1();
            auto vec2 = latt->Vec2();

            tooltip = QString("<b>Lattice vectors (Å):</b><br/>"
                              "a = (%1, %2, %3)<br/>"
                              "b = (%4, %5, %6)<br/>"
                              "c = (%7, %8, %9)")
            .arg(vec0.x, 7, 'f', 1)
            .arg(vec0.y, 7, 'f', 1)
            .arg(vec0.z, 7, 'f', 1)
            .arg(vec1.x, 7, 'f', 1)
            .arg(vec1.y, 7, 'f', 1)
            .arg(vec1.z, 7, 'f', 1)
            .arg(vec2.x, 7, 'f', 1)
            .arg(vec2.y, 7, 'f', 1)
            .arg(vec2.z, 7, 'f', 1);

            if (image->ImageData().lattice_type) {
                tooltip += QString("<br/><br/>");
                tooltip += mkSymmetry(*image->ImageData().lattice_type);
            } else if (image->Dataset().experiment.GetSpaceGroupNumber()) {
                tooltip += QString("<br/><br/>Space group (user-provided): <b>%1</b>")
                            .arg(QString::fromStdString(image->Dataset().experiment.GetSpaceGroupName()));
            }
        } else
            // Not indexed is a normal state, not an error - grey, so red keeps meaning trouble.
            text = QString("<span style=\"color: gray;\">No lattice</span>");

        indexed->setToolTip(tooltip);
        indexed->setText(text);
    } else {
        indexed->setText("N/A");
    }

    if (image->ImageData().indexing_lattice_count.value_or(0) > 1)
        multiple_lattices->setText("<span style=\"color: red;\"><b>Multiple lattices detected</b></span>");
    else
        multiple_lattices->setText("");
}