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

Timestamp:

Aug 31, 2009 3:25:44 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/coreshellcylinder.cpp (modified) (2 diffs)

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

@@ -29 +29 @@
 extern "C" {
         #include "libCylinder.h"
+        #include "libStructureFactor.h"
         #include "core_shell_cylinder.h"
 }
@@ -213 +214 @@
         return (*this).operator()(qx, qy);
 }
+/**
+ * Function to calculate effective radius
+ * @param pars: parameters of the sphere
+ * @return: effective radius value
+ */
+double CoreShellCylinderModel :: calculate_ER() {
+        CoreShellCylinderParameters dp;
+
+        dp.radius     = radius();
+        dp.thickness  = thickness();
+        dp.length     = length();
+        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_length;
+        length.get_weights(weights_length);
+
+        // 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 i=0; i< (int)weights_length.size(); i++) {
+                dp.length = weights_length[i].value;
+                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;
+                                //Note: output of "DiamCyl(dp.length,dp.radius)" is DIAMETER.
+                                sum +=weights_length[i].weight * weights_thickness[j].weight
+                                        * weights_radius[k].weight*DiamCyl(dp.length,dp.radius+dp.thickness)/2.0;
+                                norm += weights_length[i].weight* weights_thickness[j].weight* weights_radius[k].weight;
+                        }
+                }
+        }
+        if (norm != 0){
+                //return the averaged value
+                rad_out =  sum/norm;}
+        else{
+                //return normal value
+                //Note: output of "DiamCyl(dp.length,dp.radius)" is DIAMETER.
+                rad_out = DiamCyl(dp.length,dp.radius+dp.thickness)/2.0;}
+
+        return rad_out;
+}