r14365 - /1.3/generic_fns/rdc.py -- August 11, 2011 - 17:04

Author: bugman
Date: Thu Aug 11 17:04:28 2011
New Revision: 14365

URL: http://svn.gna.org/viewcvs/relax?rev=14365&view=rev
Log:
Another divide by zero problem is being caught in the RDC Q-factor code.


Modified:
    1.3/generic_fns/rdc.py

Modified: 1.3/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/rdc.py?rev=14365&r1=14364&r2=14365&view=diff
==============================================================================
--- 1.3/generic_fns/rdc.py (original)
+++ 1.3/generic_fns/rdc.py Thu Aug 11 17:04:28 2011
@@ -31,6 +31,7 @@
 from warnings import warn
 
 # relax module imports.
+from float import nan
 from generic_fns import grace, pipes
 from generic_fns.align_tensor import get_tensor_index
 from generic_fns.mol_res_spin import exists_mol_res_spin_data, return_spin, 
spin_loop
@@ -301,7 +302,10 @@
         D = dj * cdp.align_tensors[cdp.align_ids.index(align_id)].A_diag
         Da = 1.0/3.0 * (D[2, 2] - (D[0, 0]+D[1, 1])/2.0)
         Dr = 1.0/3.0 * (D[0, 0] - D[1, 1])
-        R = Dr / Da
+        if Da == 0:
+            R = nan
+        else:
+            R = Dr / Da
         norm = 2.0 * (Da)**2 * (4.0 + 3.0*R**2)/5.0
         if Da == 0.0:
             norm = 1e-15