r26173 - /trunk/specific_analyses/relax_disp/api.py -- October 06, 2014 - 18:03

Author: tlinnet
Date: Mon Oct  6 18:03:30 2014
New Revision: 26173

URL: http://svn.gna.org/viewcvs/relax?rev=26173&view=rev
Log:
Fix for looping performed twice in relax_disp API model_loop().

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=26173&r1=26172&r2=26173&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py   (original)
+++ trunk/specific_analyses/relax_disp/api.py   Mon Oct  6 18:03:30 2014
@@ -296,8 +296,8 @@
                 back_calc = back_calc_r2eff(spins=spins, spin_ids=spin_ids, 
store_chi2=True)
 
                 # Pack the data.
-                for i, spin in enumerate(spins):
-                    spin_id = spin_ids[i]
+                for i, spin_id in enumerate(spin_ids):
+                    spin = spins[i]
                     pack_back_calc_r2eff(spin=spin, spin_id=spin_id, si=i, 
back_calc=back_calc, proton_mmq_flag=proton_mmq_flag)
 
 
@@ -868,14 +868,15 @@
                     yield spin_ids
 
         # If no model is present, then set the values.
-        # The spin loop.
-        for spin, spin_id in spin_loop(return_id=True):
-            # Skip deselected spins
-            if not spin.select:
-                continue
-
-            # Yield the spin ID as a list.
-            yield [spin_id]
+        else:
+            # The spin loop.
+            for spin, spin_id in spin_loop(return_id=True):
+                # Skip deselected spins
+                if not spin.select:
+                    continue
+
+                # Yield the spin ID as a list.
+                yield [spin_id]
 
 
     def model_statistics(self, model_info=None, spin_id=None, 
global_stats=None):