r8680 - /branches/ave_noe/generic_fns/mol_res_spin.py -- January 27, 2009 - 16:51

Author: bugman
Date: Tue Jan 27 16:51:47 2009
New Revision: 8680

URL: http://svn.gna.org/viewcvs/relax?rev=8680&view=rev
Log:
The __linear_ave() now handles the coordinates as numpy arrays.


Modified:
    branches/ave_noe/generic_fns/mol_res_spin.py

Modified: branches/ave_noe/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/generic_fns/mol_res_spin.py?rev=8680&r1=8679&r2=8680&view=diff
==============================================================================
--- branches/ave_noe/generic_fns/mol_res_spin.py (original)
+++ branches/ave_noe/generic_fns/mol_res_spin.py Tue Jan 27 16:51:47 2009
@@ -36,6 +36,7 @@
 """
 
 # Python module imports.
+from numpy import array
 from re import split
 from string import strip
 from textwrap import fill
@@ -496,16 +497,16 @@
     @param positions:   The atomic positions.  The first index is that of 
the positions to be
                         averaged over.  The second index is over the 
different models.  The last
                         index is over the x, y, and z coordinates.
-    @type positions:    rank-3 list of floats
+    @type positions:    list of lists of numpy float arrays
     @return:            The averaged positions as a list of vectors.
-    @rtype:             rank-2 list of floats
+    @rtype:             list of numpy float arrays
     """
 
     # Loop over the multiple models.
     ave = []
     for model_index in range(len(positions[0])):
         # Append an empty vector.
-        ave.append([0.0, 0.0, 0.0])
+        ave.append(array([0.0, 0.0, 0.0]))
 
         # Loop over the x, y, and z coordinates.
         for coord_index in range(3):