r2531 - /branches/nan_catch_test/generic_fns/pdb.py -- August 09, 2006 - 13:25

Author: macraild
Date: Wed Aug  9 13:24:57 2006
New Revision: 2531

URL: http://svn.gna.org/viewcvs/relax?rev=2531&view=rev
Log:
Modification of proposed fix to bug #6503

Based on discussion on relax-devel at gna dot org:
https://mail.gna.org/public/relax-devel/2006-08/msg00033.html

This modification does not raise RelaxError if the amide bond length 
is 0, but rather sets the bond vector to None

Modified:
    branches/nan_catch_test/generic_fns/pdb.py

Modified: branches/nan_catch_test/generic_fns/pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/nan_catch_test/generic_fns/pdb.py?rev=2531&r1=2530&r2=2531&view=diff
==============================================================================
--- branches/nan_catch_test/generic_fns/pdb.py (original)
+++ branches/nan_catch_test/generic_fns/pdb.py Wed Aug  9 13:24:57 2006
@@ -268,10 +268,13 @@
 
                     # Test for zero length.
                     if norm_factor == 0.0:
-                        raise RelaxError, "The XH bond vector for residue " 
+ `self.relax.data.res[self.run][j].num` + " is of zero length."
+                        if self.print_flag:
+                            print "The XH bond vector for residue " + 
`self.relax.data.res[self.run][j].num` + " is of zero length."
+                        self.relax.data.res[self.run][j].xh_vect.append(None)
 
                     # Calculate the normalised vector.
-                    self.relax.data.res[self.run][j].xh_vect.append(vector / 
norm_factor)
+                    else:
+                        
self.relax.data.res[self.run][j].xh_vect.append(vector / norm_factor)
 
         # Print out.
         if self.print_flag: