From 1950694ef20509e568869a6bdc8fedb8645f32e6 Mon Sep 17 00:00:00 2001
From: Filip Leonarski <filip.leonarski@psi.ch>
Date: Wed, 29 Oct 2025 14:57:32 +0100
Subject: [PATCH] jfjoch_viewer: Add option to refine detector settings

---
 viewer/JFJochImageReadingWorker.cpp |  7 +++++--
 viewer/JFJochImageReadingWorker.h   |  3 ++-
 viewer/JFJochViewerSidePanel.cpp    | 26 ++++++++++++++++++++++++--
 viewer/JFJochViewerSidePanel.h      |  3 ++-
 4 files changed, 33 insertions(+), 6 deletions(-)

diff --git a/viewer/JFJochImageReadingWorker.cpp b/viewer/JFJochImageReadingWorker.cpp
index 83ba0d7c..250da652 100644
--- a/viewer/JFJochImageReadingWorker.cpp
+++ b/viewer/JFJochImageReadingWorker.cpp
@@ -234,7 +234,7 @@ void JFJochImageReadingWorker::Analyze() {
     emit imageLoaded(current_image_ptr);
 }
 
-void JFJochImageReadingWorker::FindCenter(const UnitCell& calibrant) {
+void JFJochImageReadingWorker::FindCenter(const UnitCell& calibrant, bool guess) {
     QMutexLocker locker(&m);
     if (!current_image_ptr)
         return;
@@ -242,7 +242,10 @@ void JFJochImageReadingWorker::FindCenter(const UnitCell& calibrant) {
 
     DiffractionGeometry geom = current_image_ptr->Dataset().experiment.GetDiffractionGeometry();
     try {
-        GuessGeometry(geom, current_image_ptr->ImageData().spots, calibrant);
+        if (guess)
+            GuessGeometry(geom, current_image_ptr->ImageData().spots, calibrant);
+        else
+            OptimizeGeometry(geom, current_image_ptr->ImageData().spots, calibrant);
     } catch (const JFJochException &e) {
         logger.ErrorException(e);
         return;
diff --git a/viewer/JFJochImageReadingWorker.h b/viewer/JFJochImageReadingWorker.h
index 19269499..5aa102ed 100644
--- a/viewer/JFJochImageReadingWorker.h
+++ b/viewer/JFJochImageReadingWorker.h
@@ -78,7 +78,8 @@ public slots:
 
     void UpdateDataset(const DiffractionExperiment& experiment);
 
-    void FindCenter(const UnitCell& calibrant);
+    void FindCenter(const UnitCell& calibrant, bool guess);
+
     void Analyze();
 
     void UpdateSpotFindingSettings(const SpotFindingSettings &settings, const IndexingSettings &indexing, int64_t max_spots, bool reanalyze);
diff --git a/viewer/JFJochViewerSidePanel.cpp b/viewer/JFJochViewerSidePanel.cpp
index c87bf27f..c373fb2e 100644
--- a/viewer/JFJochViewerSidePanel.cpp
+++ b/viewer/JFJochViewerSidePanel.cpp
@@ -126,10 +126,14 @@ JFJochViewerSidePanel::JFJochViewerSidePanel(QWidget *parent) : QWidget(parent)
     layout->addWidget(calibrantCombo);
     updateCalibrantList();
 
-    auto findBeamCenterButton = new QPushButton("Calibrate detector", this);
+    auto findBeamCenterButton = new QPushButton("Guess detector calibration", this);
     connect(findBeamCenterButton, &QPushButton::clicked,this, &JFJochViewerSidePanel::findBeamCenterClicked);
     layout->addWidget(findBeamCenterButton);
 
+    auto optimizeBeamCenterButton = new QPushButton("Refine detector calibration", this);
+    connect(optimizeBeamCenterButton, &QPushButton::clicked,this, &JFJochViewerSidePanel::optimizeBeamCenterClicked);
+    layout->addWidget(optimizeBeamCenterButton);
+
     // Add preset ice rings button below LaB6 calibration
     auto iceRingsButton = new QPushButton("Display ice rings", this);
     connect(iceRingsButton, &QPushButton::clicked, this, [this]() {
@@ -159,6 +163,24 @@ void JFJochViewerSidePanel::updateCalibrantList() {
     calibrantCombo->setCurrentIndex(0);
 }
 
+void JFJochViewerSidePanel::optimizeBeamCenterClicked() {
+    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:
+            if (sample_cell)
+                uc = sample_cell.value();
+            break;
+        default:
+            break;
+    }
+
+    emit findBeamCenter(uc, false);
+}
+
 void JFJochViewerSidePanel::findBeamCenterClicked() {
     UnitCell uc(LAB6_CELL_A, LAB6_CELL_A, LAB6_CELL_A, 90, 90, 90);
     switch (calibrantCombo->currentIndex()) {
@@ -174,7 +196,7 @@ void JFJochViewerSidePanel::findBeamCenterClicked() {
             break;
     }
 
-    emit findBeamCenter(uc);
+    emit findBeamCenter(uc, true);
 }
 
 void JFJochViewerSidePanel::setRings(const QVector <float> &v) {
diff --git a/viewer/JFJochViewerSidePanel.h b/viewer/JFJochViewerSidePanel.h
index 2c7f8f51..ae21092e 100644
--- a/viewer/JFJochViewerSidePanel.h
+++ b/viewer/JFJochViewerSidePanel.h
@@ -34,7 +34,7 @@ signals:
     void showSaturatedPixels(bool input);
     void showPredictions(bool input);
     void highlightIceRings(bool input);
-    void findBeamCenter(const UnitCell &input);
+    void findBeamCenter(const UnitCell &input, bool guess);
     void analyze();
 
     void imageLoaded(std::shared_ptr<const JFJochReaderImage> image);
@@ -53,6 +53,7 @@ private slots:
     void setRings(const QVector<float> &v);
 
     void findBeamCenterClicked();
+    void optimizeBeamCenterClicked();
     void updateCalibrantList();
 };