Changeset 2cc633b in sasview for sansmodels

Timestamp:

Aug 3, 2009 7:44:15 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:

42f193a

Parents:

0f3fefe

Message:

FIXED A BUG

Location:

sansmodels/src/sans/models

Files:

• MultiShellModel.py (modified) (2 diffs)
• c_extensions/multishell.h (modified) (1 diff)
• c_models/CMultiShellModel.cpp (modified) (4 diffs)
• c_models/flexiblecylinder.cpp (modified) (3 diffs)
• c_models/multishell.cpp (modified) (2 diffs)

sansmodels/src/sans/models/MultiShellModel.py

@@ -53 +53 @@
         self.name = "MultiShellModel"
         ## Model description
-        self.description ="""
-                Model parameters:
+        self.description ="""Model parameters:
                 scale : scale factor
                 core_radius : Core radius of the multishell
@@ -76 +75 @@
 
                 ## fittable parameters
-        self.fixed=['radius.width']
+        self.fixed=['core_radius.width', 's_thickness.width', 'w_thickness.width']
         
         ## parameters with orientation

sansmodels/src/sans/models/c_extensions/multishell.h

@@ -6 +6 @@
 
         [PYTHONCLASS] = MultiShellModel
-        [DISP_PARAMS] = core_radius
-        [DESCRIPTION] =<text>
-                                                Model parameters:
-                                                scale : scale factor
-                                                core_radius : Core radius of the multishell 
-                                                s_thickness: shell thickness
-                                                w_thickness: water thickness
-                                                core_sld: core scattering length density
-                                                shell_sld: shell scattering length density
-                                                n_pairs:number of pairs of water/shell
-                                                background: incoherent background
+        [DISP_PARAMS] = core_radius, s_thickness, w_thickness
+        [DESCRIPTION] =<text>Model parameters:
+                                scale : scale factor
+                                core_radius : Core radius of the multishell
+                                s_thickness: shell thickness
+                                w_thickness: water thickness
+                                core_sld: core scattering length density
+                                shell_sld: shell scattering length density
+                                n_pairs:number of pairs of water/shell
+                                background: incoherent background
                </text>
-        [FIXED]=  core_radius.width
+        [FIXED]=  core_radius.width; s_thickness.width; w_thickness.width
         [ORIENTATION_PARAMS]= <text> </text>
  */

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

@@ -97 +97 @@
         self->model->core_radius.dispersion->accept_as_source(visitor, self->model->core_radius.dispersion, disp_dict);
         PyDict_SetItemString(self->dispersion, "core_radius", disp_dict);
+        disp_dict = PyDict_New();
+        self->model->s_thickness.dispersion->accept_as_source(visitor, self->model->s_thickness.dispersion, disp_dict);
+        PyDict_SetItemString(self->dispersion, "s_thickness", disp_dict);
+        disp_dict = PyDict_New();
+        self->model->w_thickness.dispersion->accept_as_source(visitor, self->model->w_thickness.dispersion, disp_dict);
+        PyDict_SetItemString(self->dispersion, "w_thickness", disp_dict);
 
 
@@ -162 +168 @@
     disp_dict = PyDict_GetItemString(self->dispersion, "core_radius");
     self->model->core_radius.dispersion->accept_as_destination(visitor, self->model->core_radius.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "s_thickness");
+    self->model->s_thickness.dispersion->accept_as_destination(visitor, self->model->s_thickness.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "w_thickness");
+    self->model->w_thickness.dispersion->accept_as_destination(visitor, self->model->w_thickness.dispersion, disp_dict);
 
         
@@ -226 +236 @@
     disp_dict = PyDict_GetItemString(self->dispersion, "core_radius");
     self->model->core_radius.dispersion->accept_as_destination(visitor, self->model->core_radius.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "s_thickness");
+    self->model->s_thickness.dispersion->accept_as_destination(visitor, self->model->s_thickness.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "w_thickness");
+    self->model->w_thickness.dispersion->accept_as_destination(visitor, self->model->w_thickness.dispersion, disp_dict);
 
         
@@ -283 +297 @@
     if (!strcmp(par_name, "core_radius")) {
         self->model->core_radius.dispersion = dispersion;
+    } else    if (!strcmp(par_name, "s_thickness")) {
+        self->model->s_thickness.dispersion = dispersion;
+    } else    if (!strcmp(par_name, "w_thickness")) {
+        self->model->w_thickness.dispersion = dispersion;
     } else {
             PyErr_SetString(CMultiShellModelError,

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

@@ -52 +52 @@
  */
 double FlexibleCylinderModel :: operator()(double q) {
-        double dp[5];
+        double dp[6];
 
         // Fill parameter array for IGOR library
@@ -64 +64 @@
 
         // Get the dispersion points for the length
-        vector<WeightPoint> weights_length;
-        length.get_weights(weights_length);
+        vector<WeightPoint> weights_len;
+        length.get_weights(weights_len);
 
         // Get the dispersion points for the kuhn_length
-        vector<WeightPoint> weights_kuhn_length;
-        kuhn_length.get_weights(weights_kuhn_length);
+        vector<WeightPoint> weights_kuhn;
+        kuhn_length.get_weights(weights_kuhn);
 
         // Get the dispersion points for the radius
-        vector<WeightPoint> weights_radius;
-        radius.get_weights(weights_radius);
+        vector<WeightPoint> weights_rad;
+        radius.get_weights(weights_rad);
 
         // Perform the computation, with all weight points
@@ -80 +80 @@
 
         // Loop over semi axis A weight points
-        for(int i=0; i< (int)weights_length.size(); i++) {
-                dp[1] = weights_length[i].value;
+        for(int i=0; i< (int)weights_len.size(); i++) {
+                dp[1] = weights_len[i].value;
 
                 // Loop over semi axis B weight points
-                for(int j=0; j< (int)weights_kuhn_length.size(); j++) {
-                        dp[2] = weights_kuhn_length[j].value;
+                for(int j=0; j< (int)weights_kuhn.size(); j++) {
+                        dp[2] = weights_kuhn[j].value;
 
                         // Loop over semi axis C weight points
-                        for(int k=0; k< (int)weights_radius.size(); k++) {
-                                dp[3] = weights_radius[k].value;
+                        for(int k=0; k< (int)weights_rad.size(); k++) {
+                                dp[3] = weights_rad[k].value;
 
-                                sum += weights_length[i].weight
-                                        * weights_kuhn_length[j].weight * weights_radius[k].weight * FlexExclVolCyl(dp, q);
-                                norm += weights_length[i].weight
-                                        * weights_kuhn_length[j]*weights_radius[k].weight;
+                                sum += weights_len[i].weight
+                                        * weights_kuhn[j].weight*weights_rad[k].weight * FlexExclVolCyl(dp, q);
+                                norm += weights_len[i].weight
+                                        * weights_kuhn[j].weight*weights_rad[k].weight;
+                        }
                 }
         }

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

@@ -66 +66 @@
         core_radius.get_weights(weights_core_radius);
 
+        // Get the dispersion points for the s_thickness
+        vector<WeightPoint> weights_s_thickness;
+        s_thickness.get_weights(weights_s_thickness);
+
+        // Get the dispersion points for the w_thickness
+        vector<WeightPoint> weights_w_thickness;
+        w_thickness.get_weights(weights_w_thickness);
+
         // Perform the computation, with all weight points
         double sum = 0.0;
@@ -73 +81 @@
         for(int i=0; i< (int)weights_core_radius.size(); i++) {
                 dp[1] = weights_core_radius[i].value;
+                for(int j=0; j< (int)weights_s_thickness.size(); j++){
+                        dp[2] = weights_s_thickness[j].value;
+                        for(int k=0; k< (int)weights_w_thickness.size(); k++){
+                                dp[3] = weights_w_thickness[k].value;
 
-                sum += weights_core_radius[i].weight
-                        * MultiShell(dp, q);
-                norm += weights_core_radius[i].weight;
+                                sum += weights_core_radius[i].weight*weights_s_thickness[j].weight
+                                        *weights_w_thickness[k].weight* MultiShell(dp, q);
+                                norm += weights_core_radius[i].weight*weights_s_thickness[j].weight
+                                        *weights_w_thickness[k].weight;
+                        }
+                }
         }
         return sum/norm + background();