Reflection: slightly reduce struct size

common/Reflection.h

@@ -9,9 +9,9 @@
 #include "SpotToSave.h"
 
 struct Reflection {
-    int64_t h;
-    int64_t k;
-    int64_t l;
+    int32_t h;
+    int32_t k;
+    int32_t l;
     float image_number; // Can be in-between for 3D integration
     float delta_phi_deg; // phi angle from XDS - difference from middle of current frame (NOT an absolute angle)
     float predicted_x;
@@ -22,10 +22,9 @@ struct Reflection {
     float sigma;
     float dist_ewald;
     float rlp;
-    bool observed = false;
-    float S_x, S_y, S_z;
     float partiality;
     float zeta;
+    bool observed = false;
 };
 
 #endif //JFJOCH_REFLECTION_H

image_analysis/bragg_prediction/BraggPrediction.cpp

@@ -102,9 +102,6 @@ int BraggPrediction::Calc(const DiffractionExperiment &experiment, const Crystal
                         .d = d,
                         .dist_ewald = dist_ewald_sphere,
                         .rlp = 1.0,
-                        .S_x = S_x,
-                        .S_y = S_y,
-                        .S_z = S_z,
                         .partiality = 1.0,
                         .zeta = NAN
                     };

image_analysis/bragg_prediction/BraggPredictionGPU.cu

@@ -82,9 +82,6 @@ namespace {
         out.predicted_y = y;
         out.d = 1.0f / sqrtf(recip_sq);
         out.dist_ewald = dist_ewald;
-        out.S_x = Sx;
-        out.S_y = Sy;
-        out.S_z = Sz;
         out.rlp = 1.0f;
         out.partiality = 1.0f;
         out.zeta = NAN;

image_analysis/bragg_prediction/BraggPredictionRot.cpp

@@ -140,9 +140,6 @@ int BraggPredictionRot::Calc(const DiffractionExperiment &experiment, const Crys
                         .d = d,
                         .dist_ewald = dist_ewald_sphere,
                         .rlp = lorentz_reciprocal,
-                        .S_x = S.x,
-                        .S_y = S.y,
-                        .S_z = S.z,
                         .partiality = partiality,
                         .zeta = zeta_abs
                     };

image_analysis/bragg_prediction/BraggPredictionRotGPU.cu

@@ -156,9 +156,6 @@ namespace {
             out[count].d = 1.0f / sqrtf(p0_sq);
             out[count].dist_ewald = dist_ewald;
             out[count].rlp = lorentz;
-            out[count].S_x = Sx;
-            out[count].S_y = Sy;
-            out[count].S_z = Sz;
             out[count].partiality = partiality;
             out[count].zeta = zeta_abs;
             count++;