mailr26157 - /trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py


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Posted by tlinnet on October 06, 2014 - 02:39:
Author: tlinnet
Date: Mon Oct  6 02:39:55 2014
New Revision: 26157

URL: http://svn.gna.org/viewcvs/relax?rev=26157&view=rev
Log:
Fix for synthetic script calling back_calc_r2eff() with old arguments and to 
use list of spin containers and ids.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() 
does not calculate chi2 value for clustered residues.

Modified:
    trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py

Modified: trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py?rev=26157&r1=26156&r2=26157&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py  
(original)
+++ trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py  Mon 
Oct  6 02:39:55 2014
@@ -420,7 +420,7 @@
 
         ### Now back calculate values from parameters, and stuff R2eff it 
back.
         print("Generating data with MODEL:%s, for spin id:%s"%(model_create, 
cur_spin_id))
-        r2effs = optimisation.back_calc_r2eff(spin=cur_spin, 
spin_id=cur_spin_id)
+        r2effs = optimisation.back_calc_r2eff(spins=[cur_spin], 
spin_ids=[cur_spin_id])
 
         # Define file name
         file_name = "%s%s.txt" % (exp_id, cur_spin_id .replace('#', 
'_').replace(':', '_').replace('@', '_'))




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