AnalyzeIndexing: Move mosaicity to a dedicated function + for rotation indexing always consider as indexed

image_analysis/IndexAndRefine.cpp

@@ -188,7 +188,8 @@ void IndexAndRefine::ProcessImage(DataMessage &msg,
     if (!outcome.lattice_candidate)
         return;
 
-    if (!AnalyzeIndexing(msg, outcome.experiment, *outcome.lattice_candidate, outcome.experiment.GetGoniometer()))
+    if (!AnalyzeIndexing(msg, outcome.experiment, *outcome.lattice_candidate,
+        outcome.experiment.GetGoniometer(), rotation_indexer.get() != nullptr))
         return;
 
     msg.lattice_type = outcome.symmetry;

image_analysis/indexing/AnalyzeIndexing.cpp

@@ -116,12 +116,58 @@ namespace {
 
         return rad_to_deg(best_phi);
     }
+
+    std::optional<float> CalcMosaicity(const DiffractionExperiment& experiment,
+                                       const std::vector<SpotToSave> &spots,
+                                       const Coord &astar, const Coord &bstar, const Coord &cstar) {
+        const auto &axis = experiment.GetGoniometer();
+        if (axis.has_value()) {
+            const Coord w = axis->GetAxis().Normalize();
+            const Coord S0 = experiment.GetScatteringVector();
+            const float wedge_deg = axis->GetWedge_deg();
+            const float start_deg = axis->GetStart_deg();
+            const float inc_deg = axis->GetIncrement_deg();
+
+            double sum_sq = 0.0;
+            int count = 0;
+
+            for (const auto &s: spots) {
+                if (!s.indexed)
+                    continue;
+
+                // Observed angle: use frame center
+                const float image_center = static_cast<float>(s.image) + 0.5f;
+                const float phi_obs_deg = start_deg + inc_deg * image_center;
+
+                // g0 at phi=0 assumption
+                const Coord g0 = astar * static_cast<float>(s.h)
+                                 + bstar * static_cast<float>(s.k)
+                                 + cstar * static_cast<float>(s.l);
+
+                // Local solve window: +/- 1 wedge (easy/robust first try)
+                const auto phi_pred_deg_opt = predict_phi_deg_local(g0, S0, w, phi_obs_deg, wedge_deg);
+                if (!phi_pred_deg_opt.has_value())
+                    continue;
+
+                float dphi = wrap_deg_pm180(phi_obs_deg - phi_pred_deg_opt.value());
+                sum_sq += static_cast<double>(dphi) * static_cast<double>(dphi);
+                count++;
+            }
+
+            if (count > 0) {
+                return static_cast<float>(std::sqrt(sum_sq / static_cast<double>(count)));
+            }
+        }
+        return std::nullopt;
+    }
+
 } // namespace
 
 bool AnalyzeIndexing(DataMessage &message,
                      const DiffractionExperiment &experiment,
                      const CrystalLattice &latt,
-                     const std::optional<GoniometerAxis> &rotation_axis) {
+                     const std::optional<GoniometerAxis> &rotation_axis,
+                     bool rotation_indexed) {
     std::vector<uint8_t> indexed_spots(message.spots.size());
 
     // Check spots
@@ -172,8 +218,9 @@ bool AnalyzeIndexing(DataMessage &message,
             nspots_ref++;
     }
 
-    if (nspots_indexed >= viable_cell_min_spots
-        && nspots_indexed >= std::lround(min_percentage_spots * nspots_ref)) {
+    if (rotation_indexed
+        || (nspots_indexed >= viable_cell_min_spots
+            && nspots_indexed >= std::lround(min_percentage_spots * nspots_ref))) {
         auto uc = latt.GetUnitCell();
         if (!ok(uc.a) || !ok(uc.b) || !ok(uc.c) || !ok(uc.alpha) || !ok(uc.beta) || !ok(uc.gamma))
             return false;
@@ -187,50 +234,7 @@ bool AnalyzeIndexing(DataMessage &message,
         message.spot_count_indexed = nspots_indexed;
         message.indexing_lattice = latt;
         message.indexing_unit_cell = latt.GetUnitCell();
-
-        message.mosaicity_deg = std::nullopt;
-        if (rotation_axis.has_value()) {
-            const auto gon_opt = experiment.GetGoniometer();
-            if (gon_opt.has_value()) {
-                const auto &gon = *gon_opt;
-
-                const Coord w = rotation_axis->GetAxis().Normalize();
-                const Coord S0 = geom.GetScatteringVector();
-                const float wedge_deg = gon.GetWedge_deg();
-                const float start_deg = gon.GetStart_deg();
-                const float inc_deg = gon.GetIncrement_deg();
-
-                double sum_sq = 0.0;
-                int count = 0;
-
-                for (const auto &s: message.spots) {
-                    if (!s.indexed)
-                        continue;
-
-                    // Observed angle: use frame center
-                    const float image_center = static_cast<float>(s.image) + 0.5f;
-                    const float phi_obs_deg = start_deg + inc_deg * image_center;
-
-                    // g0 at phi=0 assumption
-                    const Coord g0 = astar * static_cast<float>(s.h)
-                                     + bstar * static_cast<float>(s.k)
-                                     + cstar * static_cast<float>(s.l);
-
-                    // Local solve window: +/- 1 wedge (easy/robust first try)
-                    const auto phi_pred_deg_opt = predict_phi_deg_local(g0, S0, w, phi_obs_deg, wedge_deg);
-                    if (!phi_pred_deg_opt.has_value())
-                        continue;
-
-                    float dphi = wrap_deg_pm180(phi_obs_deg - phi_pred_deg_opt.value());
-                    sum_sq += static_cast<double>(dphi) * static_cast<double>(dphi);
-                    count++;
-                }
-
-                if (count > 0) {
-                    message.mosaicity_deg = static_cast<float>(std::sqrt(sum_sq / static_cast<double>(count)));
-                }
-            }
-        }
+        message.mosaicity_deg = CalcMosaicity(experiment, message.spots, astar, bstar, cstar);
 
         return true;
     }

image_analysis/indexing/AnalyzeIndexing.h

@@ -13,7 +13,8 @@ constexpr static float min_percentage_spots = 0.20f;
 bool AnalyzeIndexing(DataMessage &message,
                      const DiffractionExperiment &experiment,
                      const CrystalLattice &latt,
-                     const std::optional<GoniometerAxis> &rotation_axis);
+                     const std::optional<GoniometerAxis> &rotation_axis,
+                     bool rotation_indexed);
 
 
 #endif //JFJOCH_ANALYZEINDEXING_H