[bug #22552] Chi2 value returned from C-code Curve-fitting return 0.0 for wrong parameters -> Expected influence on Monte-Carlo sim -- August 31, 2014 - 12:51

URL:
  <http://gna.org/bugs/?22552>

                 Summary: Chi2 value returned from C-code Curve-fitting return
0.0 for wrong parameters -> Expected influence on Monte-Carlo sim
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Sun 31 Aug 2014 10:51:18 AM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 9 - Immediate
                Severity: 4 - Important
                  Status: Need Info
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: trunk
         Discussion Lock: Any
        Operating System: All systems

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Details:

The Chi2 value returned from C-code Curve-fitting return 0.0 for wrong
parameters.

This is expected to influence Monte-Carlo simulations, where minfx can take a
wrong step.

This is inserted as systemtest:
relax -s Relax_disp.test_finite_value -d

R = - 500.
I0 = 1000.
params = [R, I0]
chi2 = func(params)
=> Returns 0.0

This shows, that restraints should be set on, for keeping control over steps
not been taking wrong.




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