r25451 - in /trunk/test_suite/shared_data/curve_fitting/numeric_topology: jacobian_chi2.log jacobian_chi2.py -- August 29, 2014 - 18:36

Author: bugman
Date: Fri Aug 29 18:36:45 2014
New Revision: 25451

URL: http://svn.gna.org/viewcvs/relax?rev=25451&view=rev
Log:
Fix for the chi-squared Jacobian numerical approximation script.

The function was modified to that a list of chi-squared elements are 
returned, i.e. the sum part of
the chi-squared equation has been removed.


Modified:
    
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log
    
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py

Modified: 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log?rev=25451&r1=25450&r2=25451&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log 
      (original)
+++ 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.log 
      Fri Aug 29 18:36:45 2014
@@ -3,10 +3,18 @@
 On-minimum:
 
 The Chi2 Jacobian at [1.0, 1000.0] is:
-[[ -1.10023306e-09   2.18294730e-12]]
+[[  0.00000000e+00   0.00000000e+00]
+ [ -3.25440806e-09   3.25446070e-12]
+ [  2.09660266e-09  -1.04831421e-12]
+ [  1.07707223e-10  -3.58994022e-14]
+ [ -5.00778448e-11   1.25201612e-14]]
 
 
 Off-minimum:
 
 The Chi2 Jacobian at [2.0, 500.0] is:
-[[ 456.36655522  -10.86133391]]
+[[  0.00000000e+00  -1.00000000e+01]
+ [  4.06292489e+02  -8.12584978e-01]
+ [  4.62204173e+01  -4.62204173e-02]
+ [  3.61013094e+00  -2.40675396e-03]
+ [  2.43517791e-01  -1.21758895e-04]]

Modified: 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py?rev=25451&r1=25450&r2=25451&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py  
      (original)
+++ 
trunk/test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py  
      Fri Aug 29 18:36:45 2014
@@ -19,13 +19,13 @@
     for i in range(len(times)):
         back_calc.append(I0 * exp(-R*times[i]))
 
-    # The chi2.
-    chi2 = 0.0
+    # The chi2 elements.
+    chi2 = []
     for i in range(len(times)):
-        chi2 += (I[i] - back_calc[i])**2 / errors[i]**2
+        chi2.append((I[i] - back_calc[i])**2 / errors[i]**2)
 
     # Return the value.
-    return chi2
+    return array(chi2)
 
 
 # The real parameters.