Changeset 95d58d3 in sasview for src/sans/fit/ParkFitting.py

Timestamp:

Apr 10, 2014 8:05:28 PM (10 years ago)

Author:

pkienzle

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:

90f49a8

Parents:

6fe5100

Message:

fix fit line test for bumps/scipy/park and enable it as part of test suite

File:

• src/sans/fit/ParkFitting.py (modified) (7 diffs)

src/sans/fit/ParkFitting.py

@@ -93 +93 @@
 
 
-class Model(park.Model):
+class ParkModel(park.Model):
     """
     PARK wrapper for SANS models.
@@ -391 +391 @@
         return fitpars
     
-    def all_results(self, result):
+    def extend_results_with_calculated_parameters(self, result):
         """
         Extend result from the fit with the calculated parameters.
@@ -439 +439 @@
                 # dividing residuals by N in order to be consistent with Scipy
                 m.chisq = numpy.sum(m.residuals**2/N) 
-                resid.append(m.weight*m.residuals/math.sqrt(N))
+                resid.append(m.weight*m.residuals)
         self.residuals = numpy.hstack(resid)
         N = len(self.residuals)
         self.degrees_of_freedom = N-k if N>k else 1
         self.chisq = numpy.sum(self.residuals**2)
-        return self.chisq
+        return self.chisq/self.degrees_of_freedom
     
 class ParkFit(FitEngine):
@@ -505 +505 @@
             return
         for item in fitproblems:
-            parkmodel = item.get_model()
+            model = item.get_model()
+            parkmodel = ParkModel(model.model, model.data)
             if reset_flag:
                 # reset the initial value; useful for batch
@@ -554 +555 @@
         localfit = SansFitSimplex()
         localfit.ftol = ftol
-        
+        localfit.xtol = 1e-6
+
         # See `park.fitresult.FitHandler` for details.
         fitter = SansFitMC(localfit=localfit, start_points=1)
@@ -563 +565 @@
         try:
             result = fit.fit(self.problem, fitter=fitter, handler=handler)
-            self.problem.all_results(result)
+            self.problem.extend_results_with_calculated_parameters(result)
             
         except LinAlgError:
@@ -592 +594 @@
                             name += '.' + name_split[2].strip()
                         small_result.param_list.append(name)
+                # normalize chisq by degrees of freedom
+                small_result.fitness /= len(small_result.residuals)-len(small_result.pvec)
             result_list.append(small_result)    
         if q != None: