r26682 - in /branches/frame_order_cleanup: ./ lib/structure/angles.py test_suite/unit_tests/_data_store/test_align_tensor.py -- November 21, 2014 - 10:30

Author: bugman
Date: Fri Nov 21 10:30:07 2014
New Revision: 26682

URL: http://svn.gna.org/viewcvs/relax?rev=26682&view=rev
Log:
Merged revisions 26679,26681 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r26679 | bugman | 2014-11-21 10:12:42 +0100 (Fri, 21 Nov 2014) | 3 lines
  
  Fix for the unit tests to match r26656 - Python 2.5 floats do not have a 
'real' property.
........
  r26681 | bugman | 2014-11-21 10:29:34 +0100 (Fri, 21 Nov 2014) | 9 lines
  
  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:
    branches/frame_order_cleanup/   (props changed)
    branches/frame_order_cleanup/lib/structure/angles.py
    
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Nov 21 10:30:07 2014
@@ -1 +1 @@
-/trunk:1-26673
+/trunk:1-26681

Modified: branches/frame_order_cleanup/lib/structure/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/angles.py?rev=26682&r1=26681&r2=26682&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/angles.py        (original)
+++ branches/frame_order_cleanup/lib/structure/angles.py        Fri Nov 21 
10:30:07 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
 

Modified: 
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py?rev=26682&r1=26681&r2=26682&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
 (original)
+++ 
branches/frame_order_cleanup/test_suite/unit_tests/_data_store/test_align_tensor.py
 Fri Nov 21 10:30:07 2014
@@ -140,7 +140,7 @@
         print("DATA IRREDUCIBLE GENERAL_MAGNITUDE   1.0816e-03")
         print("")
         print("Calculated values:\n")
-        print("A0:    %15.4e" % self.align_data.A0.real)
+        print("A0:    %15.4e" % self.align_data.A0)
         print("A1:    %15.4e %11.4ei" % (self.align_data.A1.real, 
self.align_data.A1.imag))
         print("Am1:   %15.4e %11.4ei" % (self.align_data.Am1.real, 
self.align_data.Am1.imag))
         print("A2:    %15.4e %11.4ei" % (self.align_data.A2.real, 
self.align_data.A2.imag))