Changeset 5eb9154 in sasview for sansmodels/src/sans/models/c_models/coreshellsphere.cpp

Timestamp:

Aug 31, 2009 5:25:44 PM (15 years ago)

Author:

Jae Cho <jhjcho@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

5be36bb

Parents:

572beba

Message:

calculation of the effective radius are added

File:

• sansmodels/src/sans/models/c_models/coreshellsphere.cpp (modified) (2 diffs)

sansmodels/src/sans/models/c_models/coreshellsphere.cpp

@@ -28 +28 @@
 extern "C" {
         #include "libSphere.h"
+        #include "core_shell.h"
 }
 
@@ -113 +114 @@
         return (*this).operator()(q);
 }
+/**
+ * Function to calculate effective radius
+ * @param pars: parameters of the sphere
+ * @return: effective radius value
+ */
+double CoreShellModel :: calculate_ER() {
+        CoreShellParameters dp;
+
+        dp.radius     = radius();
+        dp.thickness  = thickness();
+
+        double rad_out = 0.0;
+
+        // Perform the computation, with all weight points
+        double sum = 0.0;
+        double norm = 0.0;
+
+
+        // Get the dispersion points for the major shell
+        vector<WeightPoint> weights_thickness;
+        thickness.get_weights(weights_thickness);
+
+        // Get the dispersion points for the minor shell
+        vector<WeightPoint> weights_radius ;
+        radius.get_weights(weights_radius);
+
+        // Loop over major shell weight points
+        for(int j=0; j< (int)weights_thickness.size(); j++) {
+                dp.thickness = weights_thickness[j].value;
+                for(int k=0; k< (int)weights_radius.size(); k++) {
+                        dp.radius = weights_radius[k].value;
+                        sum += weights_thickness[j].weight
+                                * weights_radius[k].weight*(dp.radius+dp.thickness);
+                        norm += weights_thickness[j].weight* weights_radius[k].weight;
+                }
+        }
+        if (norm != 0){
+                //return the averaged value
+                rad_out =  sum/norm;}
+        else{
+                //return normal value
+                rad_out = (dp.radius+dp.thickness);}
+
+        return rad_out;
+}