r26681 - /trunk/lib/structure/angles.py -- November 21, 2014 - 10:29

Author: bugman
Date: Fri Nov 21 10:29:34 2014
New Revision: 26681

URL: http://svn.gna.org/viewcvs/relax?rev=26681&view=rev
Log:
Bug fix for the lib.structure.angles.angles_*() functions for odd increments.

This affects the PDB representations of the diffusion tensor and frame order 
when the number of
increments in the respective user functions is set to an odd number.  It 
really only affects the
frame_order.pdb_model user functions, as the number of increments cannot be 
set in any of the other
user functions (structure.create_diff_tensor_pdb, structure.create_rotor_pdb,
structure.create_vector_dist, n_state_model.cone_pdb).


Modified:
    trunk/lib/structure/angles.py

Modified: trunk/lib/structure/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/angles.py?rev=26681&r1=26680&r2=26681&view=diff
==============================================================================
--- trunk/lib/structure/angles.py       (original)
+++ trunk/lib/structure/angles.py       Fri Nov 21 10:29:34 2014
@@ -40,9 +40,9 @@
         u[i] = float(i) * val
 
     # Generate the increment values of v.
-    v = zeros(inc/2+1, float64)
-    val = 1.0 / float(inc/2)
-    for i in range(int(inc/2+1)):
+    v = zeros(int(inc/2.0+1.0), float64)
+    val = 1.0 / float(inc/2.0)
+    for i in range(int(inc/2.0+1.0)):
         v[i] = float(i) * val
 
     # Generate the distribution of spherical angles theta.
@@ -73,9 +73,9 @@
         u[i] = float(i) * val
 
     # Generate the increment values of v.
-    v = zeros(inc/2+2, float64)
-    val = 1.0 / float(inc/2)
-    for i in range(1, int(inc/2)+1):
+    v = zeros(int(inc/2.0+2.0), float64)
+    val = 1.0 / float(inc/2.0)
+    for i in range(1, int(inc/2.0)+1):
         v[i] = float(i-1) * val + val/2.0
     v[-1] = 1.0