r22078 - /trunk/pipe_control/structure/main.py -- January 30, 2014 - 18:02

Author: bugman
Date: Thu Jan 30 18:02:35 2014
New Revision: 22078

URL: http://svn.gna.org/viewcvs/relax?rev=22078&view=rev
Log:
Fix for bug #21561, the structure.create_diff_tensor_pdb user function 
failure with no simulations.

Bug #21561 (https://gna.org/bugs/?21561) was reported by Martin Ballaschk
(https://gna.org/users/mab).

The problem was that the simulation axes of the tensor PDB file were not 
being initialised correctly
when no Monte Carlo simulations had been run.


Modified:
    trunk/pipe_control/structure/main.py

Modified: trunk/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=22078&r1=22077&r2=22078&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Thu Jan 30 18:02:35 2014
@@ -250,8 +250,8 @@
         sim_axes = []
         if diff_type in ['oblate', 'prolate']:
             axes.append(pipe.diff_tensor.Dpar * pipe.diff_tensor.Dpar_unit)
+            sim_axes.append([])
             if sim_num != None:
-                sim_axes.append([])
                 for i in range(sim_num):
                     sim_axes[0].append(pipe.diff_tensor.Dpar_sim[i] * 
pipe.diff_tensor.Dpar_unit_sim[i])
 
@@ -259,10 +259,10 @@
             axes.append(pipe.diff_tensor.Dx * pipe.diff_tensor.Dx_unit)
             axes.append(pipe.diff_tensor.Dy * pipe.diff_tensor.Dy_unit)
             axes.append(pipe.diff_tensor.Dz * pipe.diff_tensor.Dz_unit)
+            sim_axes.append([])
+            sim_axes.append([])
+            sim_axes.append([])
             if sim_num != None:
-                sim_axes.append([])
-                sim_axes.append([])
-                sim_axes.append([])
                 for i in range(sim_num):
                     sim_axes[0].append(pipe.diff_tensor.Dx_sim[i] * 
pipe.diff_tensor.Dx_unit_sim[i])
                     sim_axes[1].append(pipe.diff_tensor.Dy_sim[i] * 
pipe.diff_tensor.Dy_unit_sim[i])