r27310 - /trunk/test_suite/shared_data/diffusion_tensor/generate_data.py -- January 26, 2015 - 15:22

Author: bugman
Date: Mon Jan 26 15:22:43 2015
New Revision: 27310

URL: http://svn.gna.org/viewcvs/relax?rev=27310&view=rev
Log:
Python 3 fix for the generate_data.py diffusion tensor to relaxation data 
creation script.

The string.upper() function no longer exists.


Modified:
    trunk/test_suite/shared_data/diffusion_tensor/generate_data.py

Modified: trunk/test_suite/shared_data/diffusion_tensor/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=27310&r1=27309&r2=27310&view=diff
==============================================================================
--- trunk/test_suite/shared_data/diffusion_tensor/generate_data.py      
(original)
+++ trunk/test_suite/shared_data/diffusion_tensor/generate_data.py      Mon 
Jan 26 15:22:43 2015
@@ -28,7 +28,6 @@
 from math import pi, sqrt
 from numpy import array, cross, dot, eye, float64, transpose, zeros
 from numpy.linalg import norm
-from string import upper
 
 # relax module imports.
 from lib.geometry.rotations import axis_angle_to_R, euler_to_R_zyz
@@ -261,8 +260,8 @@
             res = (atom_num + 1) / 2
 
             # Add the vector as a N-H atom pair.
-            mol.atom_add(pdb_record='ATOM', atom_num=atom_num,   
atom_name='N', res_name=upper(AA_TABLE[SEQ[index]]), res_num=res, pos=pos1, 
element='N')
-            mol.atom_add(pdb_record='ATOM', atom_num=atom_num+1, 
atom_name='H', res_name=upper(AA_TABLE[SEQ[index]]), res_num=res, pos=pos2,   
element='H')
+            mol.atom_add(pdb_record='ATOM', atom_num=atom_num,   
atom_name='N', res_name=AA_TABLE[SEQ[index]].upper(), res_num=res, pos=pos1, 
element='N')
+            mol.atom_add(pdb_record='ATOM', atom_num=atom_num+1, 
atom_name='H', res_name=AA_TABLE[SEQ[index]].upper(), res_num=res, pos=pos2,  
 element='H')
 
             # Connect.
             mol.atom_connect(atom_num-1, atom_num)