r25958 - /trunk/lib/structure/pdb_write.py -- September 22, 2014 - 16:44

Author: bugman
Date: Mon Sep 22 16:44:57 2014
New Revision: 25958

URL: http://svn.gna.org/viewcvs/relax?rev=25958&view=rev
Log:
Added safety checks for NaN values to the lib.structure.pdb_write module.

This is within the _record_validate() function.  The check prevents the 
creation of invalid PDB
files.


Modified:
    trunk/lib/structure/pdb_write.py

Modified: trunk/lib/structure/pdb_write.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/pdb_write.py?rev=25958&r1=25957&r2=25958&view=diff
==============================================================================
--- trunk/lib/structure/pdb_write.py    (original)
+++ trunk/lib/structure/pdb_write.py    Mon Sep 22 16:44:57 2014
@@ -83,6 +83,10 @@
             raise RelaxError("The PDB record '%s' is too short." % record)
         else:
             raise RelaxError("The PDB record '%s' is too long." % record)
+
+    # Check for nan.
+    if 'nan' in record:
+        raise RelaxError("The PDB record '%s' contains NaN values." % record)
 
 
 def atom(file, serial='', name='', alt_loc='', res_name='', chain_id='', 
res_seq='', icode='', x='', y='', z='', occupancy='', temp_factor='', 
element='', charge=''):