BraggPrediction: Add partiality calculation

image_analysis/IndexAndRefine.cpp

@@ -167,11 +167,14 @@ void IndexAndRefine::QuickPredictAndIntegrate(DataMessage &msg,
     if (experiment.GetBraggIntegrationSettings().GetFixedProfileRadius_recipA())
         ewald_dist_cutoff = experiment.GetBraggIntegrationSettings().GetFixedProfileRadius_recipA().value() * 3.0f;
 
-    float max_angle_deg = 0.2f;
+    float wedge_deg = 0.0f;
+    float mos_deg = 0.1f;
+
     if (experiment.GetGoniometer().has_value()) {
-        max_angle_deg = experiment.GetGoniometer()->GetWedge_deg() / 2.0;
+        wedge_deg = experiment.GetGoniometer()->GetWedge_deg() / 2.0;
+
         if (msg.mosaicity_deg)
-            max_angle_deg += msg.mosaicity_deg.value();
+            mos_deg = msg.mosaicity_deg.value();
     }
 
     const BraggPredictionSettings settings_prediction{
@@ -179,7 +182,8 @@ void IndexAndRefine::QuickPredictAndIntegrate(DataMessage &msg,
         .ewald_dist_cutoff = ewald_dist_cutoff,
         .max_hkl = 100,
         .centering = outcome.symmetry.centering,
-        .max_angle_deg = max_angle_deg
+        .wedge_deg = std::fabs(wedge_deg),
+        .mosaicity_deg = std::fabs(mos_deg)
     };
 
     auto nrefl = prediction.Calc(outcome.experiment, latt, settings_prediction);