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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
177 lines
5.5 KiB
C++
177 lines
5.5 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 "JFJochGridScanImage.h"
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#include <QGraphicsItem>
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JFJochGridScanImage::JFJochGridScanImage(QWidget *parent) : JFJochImage(parent) {}
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void JFJochGridScanImage::clear() {
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W = 0;
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H = 0;
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this->settings = std::nullopt;
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if (scene())
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scene()->clear();
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resetScenePointers();
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}
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void JFJochGridScanImage::loadData(const std::vector<float> &data, const GridScanSettings &settings, bool in_one_over_d2) {
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if (data.empty()) {
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clear();
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return;
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}
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this->settings = settings;
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W = settings.GetGridSizeX_step();
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H = settings.GetGridSizeY_step();
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// Draw a cell in the proportion of the area it covers, so a scan with a coarse x step and a
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// fine y step looks like the sample region it was taken over, not like a square grid.
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pixel_aspect_ = std::fabs(settings.GetGridStepY_um() / settings.GetGridStepX_um());
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image_fp = settings.Rearrange(data, NAN);
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std::vector<int64_t> indices(image_fp.size());
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std::iota(indices.begin(), indices.end(), 0);
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image_index = settings.Rearrange(indices, -1);
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one_over_d2 = in_one_over_d2;
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if (one_over_d2) {
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for (int i = 0; i < image_fp.size(); i++)
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if (!std::isnan(image_fp[i]))
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image_fp[i] = 1.0f / (image_fp[i] * image_fp[i]);
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}
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float minv = std::numeric_limits<float>::infinity();
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float maxv = -std::numeric_limits<float>::infinity();
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for (float v : image_fp) {
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if (std::isfinite(v)) {
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if (v < minv) minv = v;
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if (v > maxv) maxv = v;
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}
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}
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if (!std::isfinite(minv) || !std::isfinite(maxv)) {
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minv = 0.0f;
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maxv = 1.0f;
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}
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if (!(maxv > minv)) {
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maxv = minv + 1.0f;
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}
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background = minv;
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foreground = maxv;
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RenderImage();
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Redraw();
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}
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void JFJochGridScanImage::mouseHover(const QPointF &pt, Qt::KeyboardModifiers modifiers) {
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// Map mouse position to image pixel if inside bounds
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if (W == 0 || H == 0 || image_index.empty())
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return;
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// Convert view coordinates to image pixel by truncation
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int x = static_cast<int>(pt.x());
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int y = static_cast<int>(pt.y());
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if (x < 0 || x >= W || y < 0 || y >= H)
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return;
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int idx = y * W + x;
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if (idx < 0 || idx >= static_cast<int>(image_index.size()))
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return;
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int64_t image_id = image_index[idx];
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if (image_id >= 0) {
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if (modifiers & Qt::ShiftModifier)
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emit imageSelected(image_id);
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if (one_over_d2) {
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if (std::isnan(image_fp[idx]))
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emit writeStatusBar(QString("Image %1 x %2 y %3 no resolution estimation")
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.arg(image_id)
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.arg(x)
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.arg(y),
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6000);
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else
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emit writeStatusBar(QString("Image %1 x %2 y %3 d = %4 Å")
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.arg(image_id)
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.arg(x)
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.arg(y)
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.arg(QString::number(1 / std::sqrt(image_fp[idx]), 'f', 2)),
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6000);
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} else {
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emit writeStatusBar(QString("Image %1 x %2 y %3 value %4")
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.arg(image_id)
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.arg(x)
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.arg(y)
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.arg(QString::number(image_fp[idx], 'f', 3)),
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6000);
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}
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}
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}
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void JFJochGridScanImage::loadImage(QMouseEvent *event) {
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// Map mouse position to image pixel if inside bounds
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if (W == 0 || H == 0 || image_index.empty())
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return;
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const QPointF pt = mapToScene(event->pos());
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// Convert view coordinates to image pixel by truncation
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int x = static_cast<int>(pt.x());
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int y = static_cast<int>(pt.y());
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if (x < 0 || x >= W || y < 0 || y >= H)
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return;
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int idx = y * W + x;
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if (idx < 0 || idx >= static_cast<int>(image_index.size()))
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return;
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int64_t image_id = image_index[idx];
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if (image_id >= 0)
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emit imageSelected(image_id);
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}
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void JFJochGridScanImage::mouseDoubleClickEvent(QMouseEvent *event) {
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// Map mouse position to image pixel if inside bounds
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if (W == 0 || H == 0 || image_index.empty())
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return;
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const QPointF pt = mapToScene(event->pos());
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// Convert view coordinates to image pixel by truncation
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int x = static_cast<int>(pt.x());
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int y = static_cast<int>(pt.y());
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if (x < 0 || x >= W || y < 0 || y >= H)
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return;
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int idx = y * W + x;
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if (idx < 0 || idx >= static_cast<int>(image_index.size()))
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return;
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int64_t image_id = image_index[idx];
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if (image_id >= 0)
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emit imageSelected(image_id);
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JFJochImage::mouseDoubleClickEvent(event);
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}
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void JFJochGridScanImage::setImage(int64_t val) {
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if (settings) {
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current_image_W = settings->GetElementPosX_step(val);
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current_image_H = settings->GetElementPosY_step(val);
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} else {
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current_image_W = -1;
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current_image_H = -1;
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}
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Redraw();
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}
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void JFJochGridScanImage::addCustomOverlay() {
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if (current_image_W < 0 || current_image_H < 0 || current_image_W >= W || current_image_H >= H)
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return;
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QPen pen(feature_color, 3);
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pen.setCosmetic(true);
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auto *rect = scene()->addRect(current_image_W, current_image_H, 1, 1, pen);
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addOverlayItem(rect);
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} |