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)
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