Changeset 5eb9154 in sasview for sansmodels/src/sans/models/c_models/spheroid.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/spheroid.cpp (modified) (4 diffs)

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

@@ -29 +29 @@
 extern "C" {
         #include "libCylinder.h"
+        #include "libStructureFactor.h"
         #include "spheroid.h"
 }
@@ -140 +141 @@
  */
 double CoreShellEllipsoidModel :: evaluate_rphi(double q, double phi) {
-        return (*this).operator()(q);
-}
-
-
+        double qx = q*cos(phi);
+        double qy = q*sin(phi);
+        return (*this).operator()(qx, qy);
+}
+
+/**
+ * Function to evaluate 2D scattering function
+ * @param q_x: value of Q along x
+ * @param q_y: value of Q along y
+ * @return: function value
+ */
 double CoreShellEllipsoidModel :: operator()(double qx, double qy) {
         SpheroidParameters dp;
@@ -154 +162 @@
         dp.contrast = contrast();
         dp.sld_solvent = sld_solvent();
-        dp.background = background();
+        dp.background = 0.0;
         dp.axis_theta = axis_theta();
         dp.axis_phi = axis_phi();
@@ -237 +245 @@
 }
 
+/**
+ * Function to calculate effective radius
+ * @param pars: parameters of the sphere
+ * @return: effective radius value
+ */
+double CoreShellEllipsoidModel :: calculate_ER() {
+        SpheroidParameters dp;
+
+        dp.equat_shell = equat_shell();
+        dp.polar_shell = polar_shell();
+
+        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_equat_shell;
+        equat_shell.get_weights(weights_equat_shell);
+
+        // Get the dispersion points for the minor shell
+        vector<WeightPoint> weights_polar_shell;
+        polar_shell.get_weights(weights_polar_shell);
+
+        // Loop over major shell weight points
+        for(int i=0; i< (int)weights_equat_shell.size(); i++) {
+                dp.equat_shell = weights_equat_shell[i].value;
+                for(int k=0; k< (int)weights_polar_shell.size(); k++) {
+                        dp.polar_shell = weights_polar_shell[k].value;
+                        //Note: output of "DiamEllip(dp.polar_shell,dp.equat_shell)" is DIAMETER.
+                        sum +=weights_equat_shell[i].weight
+                                * weights_polar_shell[k].weight*DiamEllip(dp.polar_shell,dp.equat_shell)/2.0;
+                        norm += weights_equat_shell[i].weight* weights_polar_shell[k].weight;
+                }
+        }
+        if (norm != 0){
+                //return the averaged value
+                rad_out =  sum/norm;}
+        else{
+                //return normal value
+                //Note: output of "DiamEllip(dp.polar_shell,dp.equat_shell)" is DIAMETER.
+                rad_out = DiamEllip(dp.polar_shell,dp.equat_shell)/2.0;}
+
+        return rad_out;
+}