Changeset 8b677ec in sasview for sansmodels/src/sans/models

Timestamp:

Sep 8, 2009 11:02:19 AM (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:

4785dec

Parents:

ec38f27

Message:

Corrections are made after multiplicationmodel unittest

Location:

sansmodels/src/sans/models

Files:

• MultiplicationModel.py (modified) (10 diffs)
• c_extensions/HayterMSA.c (modified) (1 diff)
• c_extensions/HayterMSA.h (modified) (1 diff)
• c_models/HayterMSA.cpp (modified) (2 diffs)

sansmodels/src/sans/models/MultiplicationModel.py

@@ -6 +6 @@
 class MultiplicationModel(BaseComponent):
     """
-        Use for P(Q)*S(Q); function call maut be in order of P(Q) and then S(Q).
-        Perform multplication of two models.
+        Use for P(Q)*S(Q); function call must be in order of P(Q) and then S(Q).
+        Perform multiplication of two models.
         Contains the models parameters combined.
     """
@@ -16 +16 @@
         ## Setting  model name model description
         self.description=""
-        if  model1.name != "NoStructure"and  model2.name != "NoStructure":
+        if  model1.name != "NoStructure" and  model2.name != "NoStructure":
              self.name = model1.name +" * "+ model2.name
              self.description= self.name+"\n"
-             self.description +="see %s description and %s description"%( model1.name,
-                                                                         model2.name )
+             self.fill_description(model1, model2)
         elif  model2.name != "NoStructure":
             self.name = model2.name
@@ -47 +46 @@
         for item in self.model2.orientation_params:
             if not item in self.orientation_params:
-                if item != 'effect_radius':
-                    self.orientation_params.append(item)
+                self.orientation_params.append(item)
                 
         
@@ -74 +72 @@
             
         for name , value in self.model2.dispersion.iteritems():
-            # S(Q) has only 'radius' for dispersion.
+            ## All S(Q) has only 'effect_radius' for dispersion which 
+            #    will not be allowed for now.
             if not name in self.dispersion.keys():
                 if name != 'effect_radius':
@@ -93 +92 @@
         for name , value in self.model2.params.iteritems():
             if not name in self.params.keys():
+                #effect_radius is not treated as a parameter anymore.
                 if name != 'effect_radius': 
                     self.params[name]= value
@@ -105 +105 @@
             
         for name , detail in self.model2.details.iteritems():
-            if not name in self.details.keys()and name != 'effect_radius': #????
-                self.details[name]= detail
+            if not name in self.details.keys(): 
+                if name != 'effect_radius': 
+                    self.details[name]= detail
                 
     def setParam(self, name, value):
@@ -155 +156 @@
         for item in self.model1.fixed:
             self.fixed.append(item)
-            
-        for item in self.model2.fixed:
-            if not item in self.fixed:
-                self.fixed.append(item)
+        #S(Q) should not have fixed items for P*S for now.
+        #for item in self.model2.fixed:
+        #    if not item in self.fixed:
+        #        self.fixed.append(item)
+
         self.fixed.sort()
                 
@@ -180 +182 @@
             @return: DAB value
         """
+        
         #Reset radius of model2 just before the run
         effective_radius = None    
@@ -200 +203 @@
             #There is no dispersion for the structure factors(S(Q)). 
             #ToDo: need to decide whether or not the dispersion for S(Q) has to be considered for P*S.  
-            elif parameter in self.model2.dispersion.keys():
-                if item != 'effect_radius':
-                    value= self.model2.set_dispersion(parameter, dispersion)
+            #elif parameter in self.model2.dispersion.keys():
+            #    if item != 'effect_radius':
+            #        value= self.model2.set_dispersion(parameter, dispersion)
             self._set_dispersion()
             return value
@@ -208 +211 @@
             raise 
 
-
-    
+    def fill_description(self, model1, model2):
+        """
+            Fill the description for P(Q)*S(Q)
+        """
+        description = ""
+        description += "Note:1) The effect_radius (effective radius) of %s \n"% (model2.name)
+        description +="             is automatically calculated from size parameters (radius...).\n"
+        description += "         2) For non-spherical shape, this approximation is valid \n"
+        description += "            only for highly dilute systems. Thus, use it at your own risk.\n"
+        description +="See %s description and %s description \n"%( model1.name,model2.name )
+        description += "        for details."
+        self.description += description
+    

sansmodels/src/sans/models/c_extensions/HayterMSA.c

@@ -15 +15 @@
  * @return: function value
  */
+
 double HayterMSA_analytical_1D(HayterMSAParameters *pars, double q) {
         double dp[6];
         //Hayer takes diameter.
-        dp[0] = 2.0*pars->effect_radius;
+        dp[0] = 2.0 * pars->effect_radius;
         dp[1] = pars->charge;
-        dp[1] = pars->volfraction;
+        dp[2] = pars->volfraction;
         dp[3] = pars->temperature;
         dp[4] = pars->saltconc;

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

@@ -50 +50 @@
 } HayterMSAParameters;
 
-
-
 /// 1D scattering function
 double HayterMSA_analytical_1D(HayterMSAParameters *pars, double q);

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

@@ -91 +91 @@
         HayterMSAParameters dp;
         // Fill parameter array
-        dp.effect_radius      = 2.0*effect_radius();
+        dp.effect_radius      = effect_radius();
         dp.charge      = charge();
         dp.volfraction = volfraction();
@@ -108 +108 @@
         // Loop over radius weight points
         for(int i=0; i<weights_rad.size(); i++) {
-                dp.effect_radius = 2.0*weights_rad[i].value;
+                dp.effect_radius = weights_rad[i].value;
 
-                                        double _ptvalue = weights_rad[i].weight
-                                                * HayterMSA_analytical_2DXY(&dp, qx, qy);
-                                        sum += _ptvalue;
+                double _ptvalue = weights_rad[i].weight
+                        * HayterMSA_analytical_2DXY(&dp, qx, qy);
+                sum += _ptvalue;
 
-                                        norm += weights_rad[i].weight;
+                norm += weights_rad[i].weight;
         }
         // Averaging in theta needs an extra normalization