mailr26156 - /trunk/specific_analyses/relax_disp/api.py


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Posted by tlinnet on October 06, 2014 - 02:39:
Author: tlinnet
Date: Mon Oct  6 02:39:53 2014
New Revision: 26156

URL: http://svn.gna.org/viewcvs/relax?rev=26156&view=rev
Log:
Fix for calling back_calc_r2eff with the new argument keywords, and use list 
of spin and spind ids.

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

Modified:
    trunk/specific_analyses/relax_disp/api.py

Modified: trunk/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=26156&r1=26155&r2=26156&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py   (original)
+++ trunk/specific_analyses/relax_disp/api.py   Mon Oct  6 02:39:53 2014
@@ -419,12 +419,12 @@
             spin, spin_id = data_id
 
             # Back calculate the R2eff/R1rho data.
-            back_calc = back_calc_r2eff(spin=spin, spin_id=spin_id)
+            back_calc = back_calc_r2eff(spins=[spin], spin_ids=[spin_id])
 
             # Get the attached proton data.
             if proton_mmq_flag:
                 proton = return_attached_protons(spin_id)[0]
-                proton_back_calc = back_calc_r2eff(spin=proton, 
spin_id=spin_id)
+                proton_back_calc = back_calc_r2eff(spins=[proton], 
spin_ids=[spin_id])
 
             # Convert to a dictionary matching the R2eff data structure.
             values = {}




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