Merge pull request #1811 from McStasMcXtrace/post-3.5.16-minor-fixes

Post 3.5.16 minor Union fixes +  NeXus x wide MPI

Author: willend

common/lib/share/mccode-r.c

@@ -2037,8 +2037,9 @@ int mcdetector_out_data_nexus(NXhandle f, MCDETECTOR detector)
 	      mcdetector_out_array_nexus(f, "ncount", detector.p0, detector);
 	    } else if (strcasestr(detector.format, "pixels")) {
 	      mcdetector_out_array_nexus(  f, "pixels", detector.p1, detector);
-	    } else
+	    } else {
 	      mcdetector_out_array_nexus(  f, "events", detector.p1, detector);
+	    }
 	    NXclosegroup(f);
 	    NXopengroup(f, data_name, "NXdata");
 	    NXgetgroupID(nxhandle, &pLink);
@@ -2089,7 +2090,6 @@ MCDETECTOR mcdetector_out_list_slaves(MCDETECTOR detector)
      || mc_MPI_Send(detector.p1, mnp[0]*mnp[1]*mnp[2], MPI_DOUBLE, mpi_node_root) != MPI_SUCCESS)
       fprintf(stderr, "Warning: proc %i to master: MPI_Send p1 list error: mnp=%i (mcdetector_out_list_slaves)\n", mpi_node_rank, abs(mnp[0]*mnp[1]*mnp[2]));
     /* slaves are done: sent mnp and p1 */
-    return (detector);
   } /* end slaves */
 
   /* MPI master: receive data from slaves sequentially: 2 MPI_Recv calls */
@@ -2122,6 +2122,7 @@ MCDETECTOR mcdetector_out_list_slaves(MCDETECTOR detector)
 	     printf("\n** Done ** \n");
   );
   }
+  // Common return statement for slaves / master alike
   return(detector);
 }
 #endif

common/lib/share/mccode-r.h.in

@@ -376,7 +376,7 @@ void destroy_darr3d(DArray3d a);
 }
 
 #ifndef MPI_REDUCE_BLOCKSIZE
-#define MPI_REDUCE_BLOCKSIZE 1000
+#define MPI_REDUCE_BLOCKSIZE 100000
 #endif
 
 int mc_MPI_Sum(double* buf, long count);

mcstas-comps/share/union-lib.c

@@ -219,6 +219,7 @@ union abs_logger_data_union{
   struct a_1D_time_to_lambda_abs_storage_struct *p_1D_time_to_lambda_abs_storage;
   struct a_event_abs_storage_struct *p_event_abs_storage;
   struct a_1D_event_abs_storage_struct *p_1D_event_abs_storage;
+  struct a_nD_abs_storage_struct *p_nD_abs_storage;
   // Additional logger storage structs to be addedd
 };
 

mcstas-comps/union/Union_abs_logger_event.comp

@@ -74,6 +74,7 @@
 DEFINE COMPONENT Union_abs_logger_event
 
 SETTING PARAMETERS(string target_geometry="NULL", string filename="NULL",
+                   xwidth=0, xbins=0, yheight=0, ybins=0, zdepth=0, zbins=0,
                    order_total=-1, order_volume=-1, logger_conditional_extend_index=-1, string init="init")
 
 
@@ -120,19 +121,40 @@ struct a_event_abs_storage_struct {
   int order;
   int order_in_this_volume;
   int order_process_in_this_volume;
+
+  double stored_xwidth;
+  double stored_yheight;
+  double stored_zdepth;
+
+  int stored_xbins;
+  int stored_ybins;
+  int stored_zbins;
 
   Coords position;
   Rotation rotation;
   Rotation t_rotation;
 };
 
+double round_to_nearest_bin(double value, double w, int N) {
+    // Calculate the width of each bin
+    double bin_width = w / N;
+
+    // Calculate the index of the nearest bin
+    int bin_index = round((value + w / 2) / bin_width);
+
+    // Calculate the center of the nearest bin
+    double bin_center = (bin_index * bin_width) - (w / 2) + (bin_width / 2);
+
+    return bin_center;
+}
+
 // record_to_temp
 // Would be nice if x y z, k_new and k_old were all coords
 void record_to_temp_abs_event(Coords *position, double *k, double p, double time, int scattered_in_this_volume, int total_number_of_scattering_events, struct abs_logger_struct *abs_logger, struct abs_logger_with_data_struct *abs_logger_with_data_array) {
 
   struct a_event_abs_storage_struct *storage;
   storage = abs_logger->data_union.p_event_abs_storage;
-  
+
   int add_point = 1;
 
   if (storage->order != -1) {
@@ -141,19 +163,59 @@ void record_to_temp_abs_event(Coords *position, double *k, double p, double time
     else
       add_point = 0;
   }
-  
+
   if (storage->order_in_this_volume != -1) {
     if (storage->order_in_this_volume == scattered_in_this_volume)
       add_point = 1;
     else
       add_point = 0;
   }
 
+  if (storage->stored_xwidth != 0) {
+    if (position->x < 0.5*storage->stored_xwidth && position->x > -0.5*storage->stored_xwidth)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
+  if (storage->stored_yheight != 0) {
+    if (position->y < 0.5*storage->stored_yheight && position->y > -0.5*storage->stored_yheight)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
+  if (storage->stored_zdepth != 0) {
+    if (position->z < 0.5*storage->stored_zdepth && position->z > -0.5*storage->stored_xwidth)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
   if (add_point == 1) {
 
     int i;
     double given_x_pos, given_y_pos, given_z_pos;
+    double used_x_pos, used_y_pos, used_z_pos;
     coords_get(*position, &given_x_pos, &given_y_pos, &given_z_pos);
+
+    if (storage->stored_xbins != 0) {
+        used_x_pos = round_to_nearest_bin(given_x_pos, storage->stored_xwidth, storage->stored_xbins);
+    } else {
+        used_x_pos = given_x_pos;
+    }
+
+    if (storage->stored_ybins != 0) {
+        used_y_pos = round_to_nearest_bin(given_y_pos, storage->stored_yheight, storage->stored_ybins);
+    } else {
+        used_y_pos = given_y_pos;
+    }
+
+    if (storage->stored_zbins != 0) {
+        used_z_pos = round_to_nearest_bin(given_z_pos, storage->stored_zdepth, storage->stored_zbins);
+    } else {
+        used_z_pos = given_z_pos;
+    }
 
     double given_x_vel, given_y_vel, given_z_vel;
     given_x_vel = k[0]*K2V;
@@ -162,9 +224,9 @@ void record_to_temp_abs_event(Coords *position, double *k, double p, double time
 
     if (storage->temp_abs_event_data.num_elements < storage->temp_abs_event_data.allocated_elements) {
 
-        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].x_pos = given_x_pos;
-        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].y_pos = given_y_pos;
-        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].z_pos = given_z_pos;
+        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].x_pos = used_x_pos;
+        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].y_pos = used_y_pos;
+        storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].z_pos = used_z_pos;
         storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].x_vel = given_x_vel;
         storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].y_vel = given_y_vel;
         storage->temp_abs_event_data.elements[storage->temp_abs_event_data.num_elements].z_vel = given_z_vel;
@@ -270,22 +332,62 @@ void record_to_perm_abs_event(Coords *position, double *k, double p, double time
       add_point = 0;
   }
 
+  if (storage->stored_xwidth != 0) {
+    if (position->x < 0.5*storage->stored_xwidth && position->x > -0.5*storage->stored_xwidth)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
+  if (storage->stored_yheight != 0) {
+    if (position->y < 0.5*storage->stored_yheight && position->y > -0.5*storage->stored_yheight)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
+  if (storage->stored_zdepth != 0) {
+    if (position->z < 0.5*storage->stored_zdepth && position->z > -0.5*storage->stored_xwidth)
+      add_point = 1;
+    else
+      add_point = 0;
+  }
+
   if (add_point == 1) {
     //printf("storage was set \n");
 
     double given_x_pos, given_y_pos, given_z_pos;
+    double used_x_pos, used_y_pos, used_z_pos;
     coords_get(*position, &given_x_pos, &given_y_pos, &given_z_pos);
-    
+
+    if (storage->stored_xbins != 0) {
+        used_x_pos = round_to_nearest_bin(given_x_pos, storage->stored_xwidth, storage->stored_xbins);
+    } else {
+        used_x_pos = given_x_pos;
+    }
+
+    if (storage->stored_ybins != 0) {
+        used_y_pos = round_to_nearest_bin(given_y_pos, storage->stored_yheight, storage->stored_ybins);
+    } else {
+        used_y_pos = given_y_pos;
+    }
+
+    if (storage->stored_zbins != 0) {
+        used_z_pos = round_to_nearest_bin(given_z_pos, storage->stored_zdepth, storage->stored_zbins);
+    } else {
+        used_z_pos = given_z_pos;
+    }
+
     double given_x_vel, given_y_vel, given_z_vel;
     given_x_vel = k[0]*K2V;
     given_y_vel = k[1]*K2V;
     given_z_vel = k[2]*K2V;
 
     _class_particle _localparticle;
 
-    _localparticle.x  = given_x_pos;
-    _localparticle.y  = given_y_pos;
-    _localparticle.z  = given_z_pos;
+    _localparticle.x  = used_x_pos;
+    _localparticle.y  = used_y_pos;
+    _localparticle.z  = used_z_pos;
 
     _localparticle.vx = given_x_vel;
     _localparticle.vy = given_y_vel;
@@ -478,8 +580,17 @@ INITIALIZE
   this_abs_storage.order = order_total;
   this_abs_storage.order_in_this_volume = order_volume;
 
+  this_abs_storage.stored_xwidth = xwidth;
+  this_abs_storage.stored_xbins = (int) xbins;
+
+  this_abs_storage.stored_yheight = yheight;
+  this_abs_storage.stored_ybins = (int) ybins;
+
+  this_abs_storage.stored_zdepth = zdepth;
+  this_abs_storage.stored_zbins = (int) zbins;
+
   this_abs_storage.temp_abs_event_data.num_elements=0;
-  
+
   this_abs_storage.temp_abs_event_data.allocated_elements = 10;
   this_abs_storage.temp_abs_event_data.elements = malloc(this_abs_storage.temp_abs_event_data.allocated_elements*sizeof(struct temp_abs_event_data_element_struct));