RotationIndexer: Separate ProcessImage and GetLattice

image_analysis/RotationIndexer.cpp

@@ -39,10 +39,24 @@ RotationIndexer::RotationIndexer(const DiffractionExperiment &x, IndexerThreadPo
     }
 }
 
-void RotationIndexer::TryIndex() {
-    // Index
+IndexerResult RotationIndexer::RunIndexing() const {
+    std::vector<Coord> coords;
+    coords.reserve(max_spots);
+
+    for (int i = 0; i < v_.size(); i++) {
+        const float angle_deg = axis_->GetAngle_deg(i) + axis_->GetWedge_deg() / 2.0f;
+        const auto rot = axis_->GetTransformationAngle(angle_deg);
+
+        for (const auto &s: v_[i])
+            coords.emplace_back(rot * s.ReciprocalCoord(geom_));
+    }
+
+    return indexer_.Run(experiment, coords);
+}
+
+void RotationIndexer::TryIndex() {
+    auto indexer_result = RunIndexing();
 
-    auto indexer_result = indexer_.Run(experiment, coords_);
     if (!indexer_result.lattice.empty() && indexer_result.lattice[0].CalcVolume() > 1.0) {
         auto sg = experiment.GetGemmiSpaceGroup();
         if (sg) {
@@ -94,25 +108,19 @@ void RotationIndexer::TryIndex() {
     }
 }
 
-std::optional<RotationIndexerResult> RotationIndexer::ProcessImage(int64_t image, const std::vector<SpotToSave> &spots) {
+void RotationIndexer::ProcessImage(int64_t image, const std::vector<SpotToSave> &spots) {
     std::unique_lock ul(m);
 
     // For non-rotation just ignore the whole procedure
     if (!axis_)
-        return {};
-
-    const float angle_deg = axis_->GetAngle_deg(image) + axis_->GetWedge_deg() / 2.0f;
-    const auto rot = axis_->GetTransformationAngle(angle_deg);
+        return;
 
     if (!indexed_lattice && image >= last_accumulated_image + image_stride) {
         v_[image].reserve(spots.size());
-        coords_.reserve(coords_.size() + spots.size());
 
         for (const auto &s: spots) {
-            if (index_ice_rings || !s.ice_ring) {
+            if (index_ice_rings || !s.ice_ring)
                 v_[image].emplace_back(s);
-                coords_.emplace_back(rot * s.ReciprocalCoord(geom_));
-            }
         }
 
         accumulated_images++;
@@ -126,18 +134,11 @@ std::optional<RotationIndexerResult> RotationIndexer::ProcessImage(int64_t image
             image >= next_image_to_try_indexing)
             TryIndex();
     }
-    if (!indexed_lattice)
-        return {};
-
-    return RotationIndexerResult{
-        .lattice = indexed_lattice.value(),
-        .search_result = search_result_,
-        .geom = updated_geom_,
-        .axis = axis_
-    };
 }
 
-std::optional<RotationIndexerResult> RotationIndexer::GetLattice() {
+std::optional<RotationIndexerResult> RotationIndexer::GetLattice() const {
+    std::unique_lock ul(m);
+
     if (!indexed_lattice)
         return {};
     return RotationIndexerResult{