r26658 - /branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py -- November 20, 2014 - 14:46

Author: bugman
Date: Thu Nov 20 14:46:04 2014
New Revision: 26658

URL: http://svn.gna.org/viewcvs/relax?rev=26658&view=rev
Log:
Modified the frame_order.pdb_model user function backend to handle missing 
structural data.

The create_ave_pos() function of the specific_analyses.frame_order.geometric 
module now checks that
cdp.structure exists, and if not a warning is given and the PDB file creating 
is skipped.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py

Modified: 
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py?rev=26658&r1=26657&r2=26658&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py   
  (original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py   
  Thu Nov 20 14:46:04 2014
@@ -27,6 +27,7 @@
 from math import pi
 from numpy import array, dot, eye, float64, zeros
 import sys
+from warnings import warn
 
 # relax module imports.
 from lib.errors import RelaxFault
@@ -41,6 +42,7 @@
 from lib.structure.represent.cone import cone
 from lib.structure.represent.rotor import rotor
 from lib.text.sectioning import subsection, subsubsection
+from lib.warnings import RelaxWarning
 from pipe_control.structure.mass import pipe_centre_of_mass
 from specific_analyses.frame_order.data import domain_moving, generate_pivot
 
@@ -544,6 +546,11 @@
 
     # Printout.
     subsection(file=sys.stdout, text="Creating a PDB file with the moving 
domains shifted to the average position.")
+
+    # Checks.
+    if not hasattr(cdp, 'structure'):
+        warn(RelaxWarning("No structural data is present, cannot create the 
average position representation."))
+        return
 
     # Initialise.
     titles = []