r26155 - /trunk/specific_analyses/relax_disp/data.py -- October 06, 2014 - 02:39

Author: tlinnet
Date: Mon Oct  6 02:39:51 2014
New Revision: 26155

URL: http://svn.gna.org/viewcvs/relax?rev=26155&view=rev
Log:
Fix for graph plotting functionality to send spins as list of one spins.

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/data.py

Modified: trunk/specific_analyses/relax_disp/data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/data.py?rev=26155&r1=26154&r2=26155&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/data.py  (original)
+++ trunk/specific_analyses/relax_disp/data.py  Mon Oct  6 02:39:51 2014
@@ -1004,7 +1004,7 @@
         back_calc = None
     else:
         # Back calculate R2eff data for the second sets of plots.
-        back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, 
spin_id=spin_id, cpmg_frqs=cpmg_frqs_new, spin_lock_nu1=spin_lock_nu1_new, 
relax_times_new=relax_times_new)
+        back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spins=[spin], 
spin_ids=[spin_id], cpmg_frqs=cpmg_frqs_new, spin_lock_nu1=spin_lock_nu1_new, 
relax_times_new=relax_times_new)
 
     return interpolated_flag, back_calc, cpmg_frqs_new, offsets, 
spin_lock_fields_inter, chemical_shifts, tilt_angles, Delta_omega, w_eff
 
@@ -1113,7 +1113,7 @@
         back_calc = None
     else:
         # Back calculate R2eff data for the second sets of plots.
-        back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, 
spin_id=spin_id, spin_lock_offset=spin_lock_offset_new, 
spin_lock_nu1=spin_lock_fields_inter, relax_times_new=relax_times_new)
+        back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spins=[spin], 
spin_ids=[spin_id], spin_lock_offset=spin_lock_offset_new, 
spin_lock_nu1=spin_lock_fields_inter, relax_times_new=relax_times_new)
 
     # cpmg_frqs are not interpolated.
     cpmg_frqs_new = None