diff --git a/common/Reflection.h b/common/Reflection.h index 8a1c41fd..b73dd8aa 100644 --- a/common/Reflection.h +++ b/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 diff --git a/image_analysis/bragg_prediction/BraggPrediction.cpp b/image_analysis/bragg_prediction/BraggPrediction.cpp index a46a5d74..9a337c16 100644 --- a/image_analysis/bragg_prediction/BraggPrediction.cpp +++ b/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 }; diff --git a/image_analysis/bragg_prediction/BraggPredictionGPU.cu b/image_analysis/bragg_prediction/BraggPredictionGPU.cu index 96fef397..b79ccef4 100644 --- a/image_analysis/bragg_prediction/BraggPredictionGPU.cu +++ b/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; diff --git a/image_analysis/bragg_prediction/BraggPredictionRot.cpp b/image_analysis/bragg_prediction/BraggPredictionRot.cpp index 7a4c04e1..adeb4528 100644 --- a/image_analysis/bragg_prediction/BraggPredictionRot.cpp +++ b/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 }; diff --git a/image_analysis/bragg_prediction/BraggPredictionRotGPU.cu b/image_analysis/bragg_prediction/BraggPredictionRotGPU.cu index 752297df..7ced01d3 100644 --- a/image_analysis/bragg_prediction/BraggPredictionRotGPU.cu +++ b/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++;