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

Timestamp:

Aug 31, 2009 5:25:44 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/CSquareWellStructure.cpp (modified) (13 diffs)

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

@@ -18 +18 @@
  *
  * WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
- *          DO NOT MODIFY THIS FILE, MODIFY SquareWell.h
+ *          DO NOT MODIFY THIS FILE, MODIFY squarewell.h
  *          AND RE-RUN THE GENERATOR SCRIPT
  *
@@ -33 +33 @@
 #include <math.h>
 #include <time.h>
-#include "SquareWell.h"
+#include "squarewell.h"
 }
 
@@ -86 +86 @@
         
         // Initialize parameter dictionary
-        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",50.000000));
         PyDict_SetItemString(self->params,"welldepth",Py_BuildValue("d",1.500000));
+        PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.000000));
         PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.040000));
         PyDict_SetItemString(self->params,"wellwidth",Py_BuildValue("d",1.200000));
@@ -94 +94 @@
         PyObject * disp_dict;
         disp_dict = PyDict_New();
-        self->model->radius.dispersion->accept_as_source(visitor, self->model->radius.dispersion, disp_dict);
-        PyDict_SetItemString(self->dispersion, "radius", disp_dict);
+        self->model->effect_radius.dispersion->accept_as_source(visitor, self->model->effect_radius.dispersion, disp_dict);
+        PyDict_SetItemString(self->dispersion, "effect_radius", disp_dict);
 
 
@@ -227 +227 @@
         
             // Reader parameter dictionary
-    self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") );
     self->model->welldepth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "welldepth") );
+    self->model->effect_radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "effect_radius") );
     self->model->volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );
     self->model->wellwidth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "wellwidth") );
@@ -234 +234 @@
     PyObject* disp_dict;
     DispersionVisitor* visitor = new DispersionVisitor();
-    disp_dict = PyDict_GetItemString(self->dispersion, "radius");
-    self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "effect_radius");
+    self->model->effect_radius.dispersion->accept_as_destination(visitor, self->model->effect_radius.dispersion, disp_dict);
 
         
@@ -298 +298 @@
         
             // Reader parameter dictionary
-    self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") );
     self->model->welldepth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "welldepth") );
+    self->model->effect_radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "effect_radius") );
     self->model->volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );
     self->model->wellwidth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "wellwidth") );
@@ -305 +305 @@
     PyObject* disp_dict;
     DispersionVisitor* visitor = new DispersionVisitor();
-    disp_dict = PyDict_GetItemString(self->dispersion, "radius");
-    self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "effect_radius");
+    self->model->effect_radius.dispersion->accept_as_destination(visitor, self->model->effect_radius.dispersion, disp_dict);
 
         
@@ -344 +344 @@
         }       
 }
-
-/**
- * Function to call to evaluate model in cartesian coordinates
- * @param args: input q or [qx, qy]]
- * @return: function value
- */
-static PyObject * runXY(CSquareWellStructure *self, PyObject *args) {
-        double qx_value, qy_value;
+/**
+ * Function to call to calculate_ER
+ * @return: effective radius value 
+ */
+static PyObject * calculate_ER(CSquareWellStructure *self) {
+
         PyObject* pars;
         int npars;
@@ -358 +356 @@
         
             // Reader parameter dictionary
-    self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") );
     self->model->welldepth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "welldepth") );
+    self->model->effect_radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "effect_radius") );
     self->model->volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );
     self->model->wellwidth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "wellwidth") );
@@ -365 +363 @@
     PyObject* disp_dict;
     DispersionVisitor* visitor = new DispersionVisitor();
-    disp_dict = PyDict_GetItemString(self->dispersion, "radius");
-    self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict);
+    disp_dict = PyDict_GetItemString(self->dispersion, "effect_radius");
+    self->model->effect_radius.dispersion->accept_as_destination(visitor, self->model->effect_radius.dispersion, disp_dict);
+
+                
+        return Py_BuildValue("d",(*(self->model)).calculate_ER());
+
+}
+/**
+ * Function to call to evaluate model in cartesian coordinates
+ * @param args: input q or [qx, qy]]
+ * @return: function value
+ */
+static PyObject * runXY(CSquareWellStructure *self, PyObject *args) {
+        double qx_value, qy_value;
+        PyObject* pars;
+        int npars;
+        
+        // Get parameters
+        
+            // Reader parameter dictionary
+    self->model->welldepth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "welldepth") );
+    self->model->effect_radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "effect_radius") );
+    self->model->volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );
+    self->model->wellwidth = PyFloat_AsDouble( PyDict_GetItemString(self->params, "wellwidth") );
+    // Read in dispersion parameters
+    PyObject* disp_dict;
+    DispersionVisitor* visitor = new DispersionVisitor();
+    disp_dict = PyDict_GetItemString(self->dispersion, "effect_radius");
+    self->model->effect_radius.dispersion->accept_as_destination(visitor, self->model->effect_radius.dispersion, disp_dict);
 
         
@@ -422 +447 @@
         // Ugliness necessary to go from python to C
             // TODO: refactor this
-    if (!strcmp(par_name, "radius")) {
-        self->model->radius.dispersion = dispersion;
+    if (!strcmp(par_name, "effect_radius")) {
+        self->model->effect_radius.dispersion = dispersion;
     } else {
             PyErr_SetString(CSquareWellStructureError,
@@ -443 +468 @@
     {"runXY",      (PyCFunction)runXY     , METH_VARARGS,
       "Evaluate the model at a given Q or Qx, Qy"},
+    {"calculate_ER",      (PyCFunction)calculate_ER     , METH_VARARGS,
+      "Evaluate the model at a given Q or Q, phi"},
       
     {"evalDistribution",  (PyCFunction)evalDistribution , METH_VARARGS,