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.
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