r18918 - in /branches/frame_order_testing: auto_analyses/frame_order.py specific_fns/frame_order.py -- March 20, 2013 - 15:12

Author: bugman
Date: Wed Mar 20 15:12:51 2013
New Revision: 18918

URL: http://svn.gna.org/viewcvs/relax?rev=18918&view=rev
Log:
Created sectioning printouts for the visualisation part of the frame order 
auto-analysis.


Modified:
    branches/frame_order_testing/auto_analyses/frame_order.py
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/auto_analyses/frame_order.py?rev=18918&r1=18917&r2=18918&view=diff
==============================================================================
--- branches/frame_order_testing/auto_analyses/frame_order.py (original)
+++ branches/frame_order_testing/auto_analyses/frame_order.py Wed Mar 20 
15:12:51 2013
@@ -35,6 +35,7 @@
 from data import Relax_data_store; ds = Relax_data_store()
 from generic_fns.angles import wrap_angles
 from generic_fns.pipes import cdp_name, get_pipe
+from lib.text.sectioning import section
 from maths_fns.coord_transform import spherical_to_cartesian
 from prompt.interpreter import Interpreter
 from relax_errors import RelaxError
@@ -587,6 +588,7 @@
         self.interpreter.frame_order.pdb_model(dir=self.results_dir+model, 
force=True)
 
         # Create the visualisation script.
+        section(file=sys.stdout, text="Creating a PyMOL visualisation 
script.")
         script = open_write_file(file_name='pymol_display.py', 
dir=self.results_dir+model, force=True)
 
         # Add a comment for the user.

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=18918&r1=18917&r2=18918&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Wed Mar 20 
15:12:51 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(file=sys.stdout, text="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(file=sys.stdout, text="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(file=sys.stdout, text="Creating a PDB file containing a 
geometric object representing the frame order dynamics.")
 
         # Monte Carlo simulation flag.
         sim = False