Changeset eca05c8 in sasview for pr_inversion/invertor.py

Timestamp:

Apr 30, 2008 4:29:36 PM (16 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:

34ae302

Parents:

47f695c9

Message:

Added P(r) fit test

File:

• pr_inversion/invertor.py (modified) (5 diffs)

pr_inversion/invertor.py

@@ -3 +3 @@
 
 class Invertor(Cinvertor):
+    
+    ## Chisqr of the last computation
+    chisqr = 0
     
     def __init__(self):
@@ -14 +17 @@
         """
         if   name=='x':
+            if 0.0 in value:
+                raise ValueError, "Invertor: one of your q-values is zero. Delete that entry before proceeding"
             return self.set_x(value)
         elif name=='y':
@@ -21 +26 @@
         elif name=='d_max':
             return self.set_dmax(value)
+        elif name=='alpha':
+            return self.set_alpha(value)
             
         return Cinvertor.__setattr__(self, name, value)
@@ -45 +52 @@
         elif name=='d_max':
             return self.get_dmax()
+        elif name=='alpha':
+            return self.get_alpha()
         elif name in self.__dict__:
             return self.__dict__[name]
@@ -62 +71 @@
         out, cov_x, info, mesg, success = optimize.leastsq(self.residuals, p, full_output=1, warning=True)
         
+        # Compute chi^2
+        res = self.residuals(out)
+        chisqr = 0
+        for i in range(len(res)):
+            chisqr += res[i]
+        
+        self.chi2 = chisqr
+        
         return out, cov_x
+    
+    def pr_fit(self, nfunc=5):
+        """
+            Perform inversion to P(r)
+        """
+        from scipy import optimize
+        
+        # First, check that the current data is valid
+        if self.is_valid()<=0:
+            raise RuntimeError, "Invertor.invert: Data arrays are of different length"
+        
+        p = numpy.ones(nfunc)
+        out, cov_x, info, mesg, success = optimize.leastsq(self.pr_residuals, p, full_output=1, warning=True)
+        
+        # Compute chi^2
+        res = self.pr_residuals(out)
+        chisqr = 0
+        for i in range(len(res)):
+            chisqr += res[i]
+        
+        self.chisqr = chisqr
+        
+        return out, cov_x
+    
+    def pr_err(self, c, c_cov, r):
+        import math
+        c_err = numpy.zeros(len(c))
+        for i in range(len(c)):
+            try:
+                c_err[i] = math.sqrt(math.fabs(c_cov[i][i]))
+            except:
+                import sys
+                print sys.exc_value
+                print "oups", c_cov[i][i]
+                c_err[i] = c[i]
+
+        return self.get_pr_err(c, c_err, r)
+        
     
 if __name__ == "__main__":