r17572 - /trunk/gui/analyses/auto_model_free.py -- September 27, 2012 - 10:07

Author: bugman
Date: Thu Sep 27 10:07:03 2012
New Revision: 17572

URL: http://svn.gna.org/viewcvs/relax?rev=17572&view=rev
Log:
The CSA setting in the model-free auto GUI analysis now defaults to the '@N*' 
spin ID.

Previously no spin ID was being used so that the protons where also having 
their CSA values set to
that of the nitrogens.  Now the execution checking code skips the proton CSA 
check.


Modified:
    trunk/gui/analyses/auto_model_free.py

Modified: trunk/gui/analyses/auto_model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/gui/analyses/auto_model_free.py?rev=17572&r1=17571&r2=17572&view=diff
==============================================================================
--- trunk/gui/analyses/auto_model_free.py (original)
+++ trunk/gui/analyses/auto_model_free.py Thu Sep 27 10:07:03 2012
@@ -402,13 +402,13 @@
             # The message skeleton.
             msg = "Spin '%s' - %s (try the %s user function)." % (spin_id, 
"%s", "%s")
 
-            # Test if the CSA value has been set.
-            if not hasattr(spin, 'csa') or spin.csa == None:
-                missing.append(msg % ("CSA data", "value.set"))
-
             # Test if the nuclear isotope type has been set.
             if not hasattr(spin, 'isotope') or spin.isotope == None:
                 missing.append(msg % ("nuclear isotope data", 
"spin.isotope"))
+
+            # Test if the CSA value has been set for the heteronuclei.
+            if spin.isotope in ['15N', '13C'] and (not hasattr(spin, 'csa') 
or spin.csa == None):
+                missing.append(msg % ("CSA data", "value.set"))
 
         # Interatomic data container variables.
         for interatom in interatomic_loop():
@@ -789,7 +789,7 @@
         val = get_specific_fn('default_value')('csa')
 
         # Call the user function.
-        uf_store['value.set'](val=val, param='csa')
+        uf_store['value.set'](val=val, param='csa', spin_id='@N*')