mailr17115 - /trunk/specific_fns/relax_fit.py


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Posted by edward on July 02, 2012 - 12:03:
Author: bugman
Date: Mon Jul  2 12:03:02 2012
New Revision: 17115

URL: http://svn.gna.org/viewcvs/relax?rev=17115&view=rev
Log:
Partial fix for bug #19887 (https://gna.org/bugs/?19887).

The problem is that the number of peak height values was not the same for all 
spins!

The error message was being caused by the math_fns.relax_fit C object 'setup' 
function being feed in
incorrect values, causing relax to fail directly after the setup() call in
specific_fns.relax_fit.minimise().  The number of points was being taken from 
cdp.relax_times, but
in the Relax_fit.test_bug_19887_curvefit_fail system test, one of the 3 spins 
has 4 points rather
than 5.  Now the correct number is sent into setup().


Modified:
    trunk/specific_fns/relax_fit.py

Modified: trunk/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/relax_fit.py?rev=17115&r1=17114&r2=17115&view=diff
==============================================================================
--- trunk/specific_fns/relax_fit.py (original)
+++ trunk/specific_fns/relax_fit.py Mon Jul  2 12:03:02 2012
@@ -707,7 +707,7 @@
                 # The relaxation times.
                 times.append(cdp.relax_times[key])
 
-            setup(num_params=len(spin.params), 
num_times=len(cdp.relax_times), values=values, sd=errors, relax_times=times, 
scaling_matrix=scaling_matrix.tolist())
+            setup(num_params=len(spin.params), num_times=len(values), 
values=values, sd=errors, relax_times=times, 
scaling_matrix=scaling_matrix.tolist())
 
 
             # Setup the minimisation algorithm when constraints are present.




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