Changeset c451be9 in sasview for sansmodels/src/sans/models/c_models/triaxialellipsoid.cpp

Timestamp:

Jan 7, 2010 5:04:25 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:

dfa8832

Parents:

4cbaf35

Message:

corrections on the definition of polydispersity as suggested by steve K: should be normalized by average volume

File:

• sansmodels/src/sans/models/c_models/triaxialellipsoid.cpp (modified) (7 diffs)

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

@@ -81 +81 @@
         double sum = 0.0;
         double norm = 0.0;
+        double vol = 0.0;
 
         // Loop over semi axis A weight points
@@ -93 +94 @@
                         for(int k=0; k< (int)weights_semi_axisC.size(); k++) {
                                 dp[3] = weights_semi_axisC[k].value;
-
+                                //Un-normalize  by volume
                                 sum += weights_semi_axisA[i].weight
-                                        * weights_semi_axisB[j].weight * weights_semi_axisC[k].weight* TriaxialEllipsoid(dp, q);
+                                        * weights_semi_axisB[j].weight * weights_semi_axisC[k].weight* TriaxialEllipsoid(dp, q)
+                                        * weights_semi_axisA[i].value*weights_semi_axisB[j].value*weights_semi_axisC[k].value;
+                                //Find average volume
+                                vol += weights_semi_axisA[i].weight
+                                        * weights_semi_axisB[j].weight * weights_semi_axisC[k].weight
+                                        * weights_semi_axisA[i].value*weights_semi_axisB[j].value*weights_semi_axisC[k].value;
+
                                 norm += weights_semi_axisA[i].weight
                                         * weights_semi_axisB[j].weight * weights_semi_axisC[k].weight;
@@ -101 +108 @@
                 }
         }
+        if (vol != 0.0 && norm != 0.0) {
+                //Re-normalize by avg volume
+                sum = sum/(vol/norm);}
+
         return sum/norm + background();
 }
@@ -150 +161 @@
         double sum = 0.0;
         double norm = 0.0;
+        double norm_vol = 0.0;
+        double vol = 0.0;
 
         // Loop over semi axis A weight points
@@ -173 +186 @@
                                                 for(int n=0; n <(int)weights_psi.size(); n++) {
                                                         dp.axis_psi = weights_psi[n].value;
-
+                                                        //Un-normalize  by volume
                                                         double _ptvalue = weights_semi_axisA[i].weight
                                                                 * weights_semi_axisB[j].weight
@@ -180 +193 @@
                                                                 * weights_phi[m].weight
                                                                 * weights_psi[n].weight
-                                                                * triaxial_ellipsoid_analytical_2DXY(&dp, qx, qy);
+                                                                * triaxial_ellipsoid_analytical_2DXY(&dp, qx, qy)
+                                                                * weights_semi_axisA[i].value*weights_semi_axisB[j].value*weights_semi_axisC[k].value;
                                                         if (weights_theta.size()>1) {
                                                                 _ptvalue *= sin(weights_theta[k].value);
                                                         }
                                                         sum += _ptvalue;
+                                                        //Find average volume
+                                                        vol += weights_semi_axisA[i].weight
+                                                                * weights_semi_axisB[j].weight
+                                                                * weights_semi_axisC[k].weight
+                                                                * weights_semi_axisA[i].value*weights_semi_axisB[j].value*weights_semi_axisC[k].value;
+                                                        //Find norm for volume
+                                                        norm_vol += weights_semi_axisA[i].weight
+                                                                * weights_semi_axisB[j].weight
+                                                                * weights_semi_axisC[k].weight;
 
                                                         norm += weights_semi_axisA[i].weight
@@ -203 +226 @@
         // integration (see documentation).
         if (weights_theta.size()>1) norm = norm / asin(1.0);
+
+        if (vol != 0.0 && norm_vol != 0.0) {
+                //Re-normalize by avg volume
+                sum = sum/(vol/norm_vol);}
+
         return sum/norm + background();
 }