BraggIntegrate2D: predictions are calculated externally (to make it easier to make a more general 3D routine)

2026-01-30 14:01:54 +01:00
parent 1c4dfd03e2
commit 665f7e147c
3 changed files with 36 additions and 47 deletions
@@ -141,8 +141,16 @@ void IndexAndRefine::ProcessImage(DataMessage &msg,
                                    * 3.0f;

            if (spot_finding_settings.quick_integration) {
-                auto res = BraggIntegrate2D(experiment_copy, image, *lattice_candidate,
-                                            prediction, ewald_dist_cutoff, msg.number, symmetry.centering);
+                BraggPredictionSettings settings_prediction{
+                    .high_res_A = experiment.GetBraggIntegrationSettings().GetDMinLimit_A(),
+                    .ewald_dist_cutoff = ewald_dist_cutoff,
+                    .max_hkl = 100,
+                    .centering = symmetry.centering
+                };
+
+                prediction.Calc(experiment, *lattice_candidate, settings_prediction);
+
+                auto res = BraggIntegrate2D(experiment_copy, image, prediction.GetReflections(), msg.number);

                constexpr size_t kMaxReflections = 10000;
                if (res.size() > kMaxReflections) {