Changeset 82c11d3 in sasview for sansmodels/src/c_models/vesicle.cpp

Timestamp:

Jan 5, 2012 6:24:51 PM (13 years ago)

Author:

Mathieu Doucet <doucetm@…>

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:

20d91bd

Parents:

98fdccd

Message:

refactored bunch of models

File:

• sansmodels/src/c_models/vesicle.cpp (modified) (5 diffs)

sansmodels/src/c_models/vesicle.cpp

@@ -21 +21 @@
 
 #include <math.h>
-#include "models.hh"
 #include "parameters.hh"
 #include <stdio.h>
 using namespace std;
+#include "vesicle.h"
 
 extern "C" {
-        #include "libSphere.h"
-        #include "vesicle.h"
+#include "libSphere.h"
 }
 
+typedef struct {
+  double scale;
+  double radius;
+  double thickness;
+  double core_sld;
+  double shell_sld;
+  double background;
+} VesicleParameters;
+
 VesicleModel :: VesicleModel() {
-        scale      = Parameter(1.0);
-        radius     = Parameter(100.0, true);
-        radius.set_min(0.0);
-        thickness  = Parameter(30.0, true);
-        thickness.set_min(0.0);
-        core_sld   = Parameter(6.36e-6);
-        shell_sld   = Parameter(5.0e-7);
-        background = Parameter(0.0);
+  scale      = Parameter(1.0);
+  radius     = Parameter(100.0, true);
+  radius.set_min(0.0);
+  thickness  = Parameter(30.0, true);
+  thickness.set_min(0.0);
+  core_sld   = Parameter(6.36e-6);
+  shell_sld   = Parameter(5.0e-7);
+  background = Parameter(0.0);
 }
 
@@ -49 +57 @@
  */
 double VesicleModel :: operator()(double q) {
-        double dp[6];
+  double dp[6];
 
-        // Fill parameter array for IGOR library
-        // Add the background after averaging
-        dp[0] = scale();
-        dp[1] = radius();
-        dp[2] = thickness();
-        dp[3] = core_sld();
-        dp[4] = shell_sld();
-        dp[5] = 0.0;
+  // Fill parameter array for IGOR library
+  // Add the background after averaging
+  dp[0] = scale();
+  dp[1] = radius();
+  dp[2] = thickness();
+  dp[3] = core_sld();
+  dp[4] = shell_sld();
+  dp[5] = 0.0;
 
 
-        // Get the dispersion points for the core radius
-        vector<WeightPoint> weights_radius;
-        radius.get_weights(weights_radius);
-        // Get the dispersion points for the thickness
-        vector<WeightPoint> weights_thickness;
-        thickness.get_weights(weights_thickness);
+  // Get the dispersion points for the core radius
+  vector<WeightPoint> weights_radius;
+  radius.get_weights(weights_radius);
+  // Get the dispersion points for the thickness
+  vector<WeightPoint> weights_thickness;
+  thickness.get_weights(weights_thickness);
 
-        // Perform the computation, with all weight points
-        double sum = 0.0;
-        double norm = 0.0;
-        double vol = 0.0;
+  // Perform the computation, with all weight points
+  double sum = 0.0;
+  double norm = 0.0;
+  double vol = 0.0;
 
-        // Loop over radius weight points
-        for(int i=0; i< (int)weights_radius.size(); i++) {
-                dp[1] = weights_radius[i].value;
-                for(int j=0; j< (int)weights_thickness.size(); j++) {
-                        dp[2] = weights_thickness[j].value;
-                        sum += weights_radius[i].weight
-                                * weights_thickness[j].weight * VesicleForm(dp, q)
-                                *(pow(weights_radius[i].value+weights_thickness[j].value,3)-pow(weights_radius[i].value,3));
-                        //Find average volume
-                        vol += weights_radius[i].weight * weights_thickness[j].weight
-                                *(pow(weights_radius[i].value+weights_thickness[j].value,3)-pow(weights_radius[i].value,3));
-                        norm += weights_radius[i].weight * weights_thickness[j].weight;
-                }
-        }
-        if (vol != 0.0 && norm != 0.0) {
-                //Re-normalize by avg volume
-                sum = sum/(vol/norm);}
+  // Loop over radius weight points
+  for(int i=0; i< (int)weights_radius.size(); i++) {
+    dp[1] = weights_radius[i].value;
+    for(int j=0; j< (int)weights_thickness.size(); j++) {
+      dp[2] = weights_thickness[j].value;
+      sum += weights_radius[i].weight
+          * weights_thickness[j].weight * VesicleForm(dp, q)
+      *(pow(weights_radius[i].value+weights_thickness[j].value,3)-pow(weights_radius[i].value,3));
+      //Find average volume
+      vol += weights_radius[i].weight * weights_thickness[j].weight
+          *(pow(weights_radius[i].value+weights_thickness[j].value,3)-pow(weights_radius[i].value,3));
+      norm += weights_radius[i].weight * weights_thickness[j].weight;
+    }
+  }
+  if (vol != 0.0 && norm != 0.0) {
+    //Re-normalize by avg volume
+    sum = sum/(vol/norm);}
 
-        return sum/norm + background();
+  return sum/norm + background();
 }
 
@@ -101 +109 @@
  */
 double VesicleModel :: operator()(double qx, double qy) {
-        double q = sqrt(qx*qx + qy*qy);
-        return (*this).operator()(q);
+  double q = sqrt(qx*qx + qy*qy);
+  return (*this).operator()(q);
 }
 
@@ -113 +121 @@
  */
 double VesicleModel :: evaluate_rphi(double q, double phi) {
-        return (*this).operator()(q);
+  return (*this).operator()(q);
 }
 /**
@@ -120 +128 @@
  */
 double VesicleModel :: calculate_ER() {
-        VesicleParameters dp;
+  VesicleParameters dp;
 
-        dp.radius     = radius();
-        dp.thickness  = thickness();
+  dp.radius     = radius();
+  dp.thickness  = thickness();
 
-        double rad_out = 0.0;
+  double rad_out = 0.0;
 
-        // Perform the computation, with all weight points
-        double sum = 0.0;
-        double norm = 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 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);
+  // 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);}
+  // 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;
+  return rad_out;
 }