mailr18916 - /branches/frame_order_testing/specific_fns/frame_order.py


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Posted by edward on March 20, 2013 - 15:03:
Author: bugman
Date: Wed Mar 20 15:03:42 2013
New Revision: 18916

URL: http://svn.gna.org/viewcvs/relax?rev=18916&view=rev
Log:
Merged revisions 18913-18914 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r18913 | bugman | 2013-03-20 14:57:41 +0100 (Wed, 20 Mar 2013) | 6 lines
  
  Expansion of the lib.text.sectioning module.
  
  The following new functions have been added:  box(), section(), 
subsection(), subsubsection(),
  subtitle(), subsubtitle(), underline().
........
  r18914 | bugman | 2013-03-20 14:58:16 +0100 (Wed, 20 Mar 2013) | 3 lines
  
  Expanded the unit testing of the lib.text.sectioning module to cover all 
title and section functions.
........

Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=18916&r1=18915&r2=18916&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Wed Mar 20 
15:03:42 2013
@@ -44,6 +44,7 @@
 from generic_fns.structure.cones import Iso_cone, Pseudo_elliptic
 from generic_fns.structure.mass import centre_of_mass
 from generic_fns.structure.internal import Internal
+from lib.text.sectioning import section
 from maths_fns import frame_order, order_parameters
 from maths_fns.coord_transform import spherical_to_cartesian
 from maths_fns.rotation_matrix import euler_to_R_zyz, two_vect_to_R
@@ -957,6 +958,9 @@
         @type force:    bool
         """
 
+        # Printout.
+        section(sys.stdout, "Creating a PDB file with the moving domains 
shifted to the average position.")
+
         # Make a copy of the structural object (so as to preserve the 
original structure).
         structure = deepcopy(cdp.structure)
 
@@ -992,6 +996,10 @@
         @keyword force: Flag which if set to True will cause any 
pre-existing file to be overwritten.
         @type force:    bool
         """
+
+        # Printout.
+        section(sys.stdout, "Creating a PDB file of a distribution of 
positions coving the full dynamics of the moving domain.")
+
 
 
     def _pdb_geometric_rep(self, file=None, dir=None, size=30.0, inc=36, 
force=False, neg_cone=True):
@@ -1010,6 +1018,9 @@
         @keyword neg_cone:      A flag which if True will cause the negative 
cone to be added to the representation.
         @type neg_cone:         bool
         """
+
+        # Printout.
+        section(sys.stdout, "Creating a PDB file containing a geometric 
object representing the frame order dynamics.")
 
         # Monte Carlo simulation flag.
         sim = False




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