leonarski_f
58c60e03fe
Surface a surgical subset of processing settings in an always-visible dock instead of hidden windows: - New JFJochViewerSettingsDock with an MX / AzInt segmented toggle. MX page: geometry (energy, distance, beam X/Y), a new unit-cell + space-group editor (no such input existed before; enables known-cell ffbidx), spot finding (S/N, photon count, min pixels/spot), indexing algorithm and geometry refinement. AzInt page: q range / spacing / azimuthal bins plus the existing powder-calibration widget. - Edits feed straight into the worker (UpdateSpotFindingSettings, UpdateAzintSettings, UpdateDataset, FindCenter); fields populate from the loaded dataset. - Add CeO2 and Silicon calibrant presets. - Dock it left, objectName "settingsDock", show it in the Processing perspective (hidden in Image). Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
104 lines
3.7 KiB
C++
104 lines
3.7 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 "PowderCalibrationWidget.h"
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#include <QPushButton>
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#include <QGridLayout>
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#include <QLabel>
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#include "../../common/JFJochMath.h"
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#include "../image_analysis/geom_refinement/AssignSpotsToRings.h"
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PowderCalibrationWidget::PowderCalibrationWidget(QWidget *parent) : QWidget(parent) {
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auto layout = new QVBoxLayout(this);
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calibrantCombo = new QComboBox(this);
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updateCalibrantList();
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auto findBeamCenterButton = new QPushButton("Guess detector calibration", this);
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connect(findBeamCenterButton, &QPushButton::clicked,this, &PowderCalibrationWidget::findBeamCenterClicked);
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auto optimizeBeamCenterButton = new QPushButton("Refine detector calibration", this);
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connect(optimizeBeamCenterButton, &QPushButton::clicked,this, &PowderCalibrationWidget::optimizeBeamCenterClicked);
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auto calibrantRingsButton = new QPushButton("Display calibrant rings", this);
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connect(calibrantRingsButton, &QPushButton::clicked, this, [this]() {
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std::vector<float> rings = CalculateXtalRings(GetCalibrant(), 10);
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QVector<float> q_rings;
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for (float ring : rings) {
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q_rings.append(2 * PI / ring);
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}
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emit ringsFromCalibration(q_rings);
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});
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auto refine_row = new QGridLayout();
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refine_row->setSpacing(12);
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refine_row->addWidget(new QLabel("Calibrant:"),0,0);
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refine_row->addWidget(calibrantCombo,0,1);
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refine_row->addWidget(findBeamCenterButton,1, 0);
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refine_row->addWidget(optimizeBeamCenterButton,1, 1);
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refine_row->addWidget(calibrantRingsButton,2, 0);
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layout->addLayout(refine_row);
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setLayout(layout);
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}
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UnitCell PowderCalibrationWidget::GetCalibrant() const {
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UnitCell uc(LAB6_CELL_A, LAB6_CELL_A, LAB6_CELL_A, 90, 90, 90);
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switch (calibrantCombo->currentIndex()) {
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case 1:
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// T. C. Huang , H. Toraya, T. N. Blanton, Y. Wu, J. Appl. Cryst. 26 (1993), 180-184.
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uc = UnitCell(5.1769, 4.7218, 58.380, 89.440, 89.634, 75.854);
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break;
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case 2:
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// CeO2, cubic fluorite (a = 5.4115 Å), NIST SRM 674b.
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uc = UnitCell(5.4115, 5.4115, 5.4115, 90, 90, 90);
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break;
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case 3:
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// Silicon, cubic (a = 5.43102 Å), NIST SRM 640.
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uc = UnitCell(5.43102, 5.43102, 5.43102, 90, 90, 90);
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break;
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case 4:
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if (sample_cell)
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uc = sample_cell.value();
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break;
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default:
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break;
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}
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return uc;
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}
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void PowderCalibrationWidget::updateCalibrantList() {
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calibrantCombo->clear();
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calibrantCombo->addItem("LaB6");
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calibrantCombo->addItem("Silver Behenate");
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calibrantCombo->addItem("CeO2");
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calibrantCombo->addItem("Silicon");
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if (sample_cell)
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calibrantCombo->addItem(QString("Current sample (%1 %2 %3 %4 %5 %6)")
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.arg(QString::number(sample_cell->a, 'f', 1))
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.arg(QString::number(sample_cell->b, 'f', 1))
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.arg(QString::number(sample_cell->c, 'f', 1))
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.arg(QString::number(sample_cell->alpha, 'f', 1))
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.arg(QString::number(sample_cell->beta, 'f', 1))
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.arg(QString::number(sample_cell->gamma, 'f', 1)));
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calibrantCombo->setCurrentIndex(0);
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}
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void PowderCalibrationWidget::loadImage(std::shared_ptr<const JFJochReaderImage> image) {
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if (image)
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sample_cell = image->Dataset().experiment.GetUnitCell();
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updateCalibrantList();
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}
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void PowderCalibrationWidget::findBeamCenterClicked() {
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emit findBeamCenter(GetCalibrant(), true);
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}
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void PowderCalibrationWidget::optimizeBeamCenterClicked() {
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emit findBeamCenter(GetCalibrant(), false);
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}
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