Merge pull request #2338 from willend/main

Manual update of McXtrace Incoherent_process comp from EBK branch

Author: willend

mcxtrace-comps/union/Incoherent_process.comp

@@ -19,7 +19,7 @@
 *  by Kim Lefmann and Kristian Nielsen
 *
 * Part of the Union components, a set of components that work together and thus
-*  sperates geometry and physics within McXtrace.
+*  separates geometry and physics within McXtrace.
 * The use of this component requires other components to be used.
 *
 * 1) One specifies a number of processes using process components like this one
@@ -40,28 +40,29 @@
 * sigma: [barns]          Incoherent scattering cross section
 * f_QE: [1]               Fraction of quasielastic scattering (rest is elastic)
 * gamma: [1]              Lorentzian width of quasielastic broadening (HWHM)
-* packing_factor: [1]     How dense is the material compared to optimal 0-1
+* packing_factor: [1]      How dense is the material compared to optimal 0-1
 * Unit_cell_volume: [AA^3] Unit_cell_volume
-* Interact_fraction: [1]  How large a part of the scattering events should use this process 0-1 (sum of all processes in material = 1)
+* Interact_fraction: [1]   How large a part of the scattering events should use this process 0-1 (sum of all processes in material = 1)
+* init:              [string] name of Union_init component (typically "init", default)
 *
 * CALCULATED PARAMETERS:
 *
-* %Link
+* %L
 * The test/example instrument <a href="../examples/Test_Phonon.instr">Test_Phonon.instr</a>.
 *
-* %End
+* %E
 ******************************************************************************/
 
 DEFINE COMPONENT Incoherent_process
-SETTING PARAMETERS(sigma=5.08,f_QE=0,gamma=0,packing_factor=1,unit_cell_volume=13.8,interact_fraction=-1)
+SETTING PARAMETERS(sigma=5.08, f_QE=0, gamma=0, packing_factor=1, unit_cell_volume=13.8, interact_fraction=-1, string init="init")
 
 SHARE
 %{
   #ifndef Union
   #define Union $Revision: 0.8 $
 
-  #include "Union_functions.c"
-  #include "Union_initialization.c"
+
+  %include "union-init.c"
 
   #endif
 
@@ -77,19 +78,16 @@ SHARE
   };
 
   // Function for calculating my in Incoherent case
-  int
-  Incoherent_physics_my (double* my, double* k_initial, union data_transfer_union data_transfer, struct focus_data_struct* focus_data) {
+  int Incoherent_physics_my(double *my,double *k_initial, union data_transfer_union data_transfer, struct focus_data_struct *focus_data, _class_particle *_particle) {
     *my = data_transfer.pointer_to_a_Incoherent_physics_storage_struct->my_scattering;
     return 1;
   };
 
   // Function for basic incoherent scattering event
-  int
-  Incoherent_physics_scattering (double* k_final, double* k_initial, double* weight, union data_transfer_union data_transfer,
-                                 struct focus_data_struct* focus_data) {
+  int Incoherent_physics_scattering (double *k_final, double *k_initial, double *weight, union data_transfer_union data_transfer, struct focus_data_struct *focus_data, _class_particle *_particle) {
 
-    // New version of incoherent scattering
-    double k_length = sqrt (k_initial[0] * k_initial[0] + k_initial[1] * k_initial[1] + k_initial[2] * k_initial[2]);
+    //New version of incoherent scattering
+    double k_length = sqrt(k_initial[0]*k_initial[0]+k_initial[1]*k_initial[1]+k_initial[2]*k_initial[2]);
 
     Coords k_out;
     // Here is the focusing system in action, get a vector
@@ -106,14 +104,22 @@ SHARE
       E_f = E_i + dE;
       if (E_f <= 0)
         return 0;
-      k_length = E_f * E2K;
+      k_length = E_f*E2K;
     }
 
     k_final[0] = k_out.x * k_length;
     k_final[1] = k_out.y * k_length;
     k_final[2] = k_out.z * k_length;
     return 1;
-  };
+};
+
+#ifndef PROCESS_DETECTOR
+    #define PROCESS_DETECTOR dummy
+#endif
+
+#ifndef PROCESS_INCOHERENT_DETECTOR
+    #define PROCESS_INCOHERENT_DETECTOR dummy
+#endif
 %}
 
 DECLARE
@@ -122,42 +128,49 @@ DECLARE
   struct global_process_element_struct global_process_element;
   struct scattering_process_struct This_process;
 
-  #ifndef PROCESS_DETECTOR
-  // struct pointer_to_global_process_list global_process_list = {0,NULL};
-  #define PROCESS_DETECTOR dummy
-  #endif
-
   // Declare for this component, to do calculations on the input / store in the transported data
   struct Incoherent_physics_storage_struct Incoherent_storage;
   double effective_my_scattering;
+
 %}
 
 INITIALIZE
 %{
   // Initialize done in the component
-  effective_my_scattering = ((packing_factor / unit_cell_volume) * 100 * sigma);
+  effective_my_scattering = ((packing_factor/unit_cell_volume) * 100 * sigma);
   Incoherent_storage.my_scattering = effective_my_scattering;
 
   Incoherent_storage.QE_sampling_frequency = f_QE;
   Incoherent_storage.lorentzian_width = gamma;
 
+  // The type of the process must be saved in the global enum process
+  This_process.eProcess = Incoherent;
+
   // Need to specify if this process is isotropic
   This_process.non_isotropic_rot_index = -1; // Yes (powder)
-  // This_process.non_isotropic_rot_index =  1;  // No (single crystal)
+  //This_process.non_isotropic_rot_index =  1;  // No (single crystal)
 
   // Packing the data into a structure that is transported to the main component
-  sprintf (This_process.name, "%s", NAME_CURRENT_COMP);
+  sprintf(This_process.name,NAME_CURRENT_COMP);
   This_process.process_p_interact = interact_fraction;
   This_process.data_transfer.pointer_to_a_Incoherent_physics_storage_struct = &Incoherent_storage;
-  // This_process.data_transfer.pointer_to_a_Incoherent_physics_storage_struct->my_scattering = effective_my_scattering;
+  //This_process.data_transfer.pointer_to_a_Incoherent_physics_storage_struct->my_scattering = effective_my_scattering;
   This_process.probability_for_scattering_function = &Incoherent_physics_my;
   This_process.scattering_function = &Incoherent_physics_scattering;
 
   // This will be the same for all process's, and can thus be moved to an include.
-  sprintf (global_process_element.name, "%s", NAME_CURRENT_COMP);
+  sprintf(global_process_element.name,NAME_CURRENT_COMP);
   global_process_element.component_index = INDEX_CURRENT_COMP;
   global_process_element.p_scattering_process = &This_process;
-  add_element_to_process_list (&global_process_list, global_process_element);
+
+  if (_getcomp_index(init) < 0) {
+    fprintf(stderr,"Incoherent_process:%s: Error identifying Union_init component, %s is not a known component name.\n",
+            NAME_CURRENT_COMP, init);
+    exit(-1);
+  }
+
+  struct pointer_to_global_process_list *global_process_list = COMP_GETPAR3(Union_init, init, global_process_list);
+  add_element_to_process_list(global_process_list, global_process_element);
  %}
 
 TRACE