r18257 - in /trunk/generic_fns: pcs.py rdc.py -- January 22, 2013 - 10:32

Author: bugman
Date: Tue Jan 22 10:32:14 2013
New Revision: 18257

URL: http://svn.gna.org/viewcvs/relax?rev=18257&view=rev
Log:
Improved the RDC and PCS Q factor calculation warnings to be more informative.

These warnings sometimes appear at the end of the N-state model optimisation, 
but it is not clear
where they come from.


Modified:
    trunk/generic_fns/pcs.py
    trunk/generic_fns/rdc.py

Modified: trunk/generic_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/pcs.py?rev=18257&r1=18256&r2=18257&view=diff
==============================================================================
--- trunk/generic_fns/pcs.py (original)
+++ trunk/generic_fns/pcs.py Tue Jan 22 10:32:14 2013
@@ -522,13 +522,13 @@
 
         # Warnings (and then exit).
         if not spin_count:
-            warn(RelaxWarning("No spins have been used in the calculation."))
+            warn(RelaxWarning("No spins have been used in the calculation, 
skipping the PCS Q factor calculation."))
             return
         if not pcs_data:
-            warn(RelaxWarning("No PCS data can be found for the alignment ID 
'%s'." % align_id))
+            warn(RelaxWarning("No PCS data can be found for the alignment ID 
'%s', skipping the PCS Q factor calculation for this alignment." % align_id))
             continue
         if not pcs_bc_data:
-            warn(RelaxWarning("No back-calculated PCS data can be found for 
the alignment ID '%s'." % align_id))
+            warn(RelaxWarning("No back-calculated PCS data can be found for 
the alignment ID '%s', skipping the PCS Q factor calculation for this 
alignment." % align_id))
             continue
 
     # The total Q-factor.

Modified: trunk/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/rdc.py?rev=18257&r1=18256&r2=18257&view=diff
==============================================================================
--- trunk/generic_fns/rdc.py (original)
+++ trunk/generic_fns/rdc.py Tue Jan 22 10:32:14 2013
@@ -465,13 +465,13 @@
 
         # Warnings (and then exit).
         if not interatom_count:
-            warn(RelaxWarning("No interatomic data containers have been used 
in the calculation."))
+            warn(RelaxWarning("No interatomic data containers have been used 
in the calculation, skipping the RDC Q factor calculation."))
             return
         if not rdc_data:
-            warn(RelaxWarning("No RDC data can be found for the alignment ID 
'%s'." % align_id))
+            warn(RelaxWarning("No RDC data can be found for the alignment ID 
'%s', skipping the RDC Q factor calculation for this alignment." % align_id))
             continue
         if not rdc_bc_data:
-            warn(RelaxWarning("No back-calculated RDC data can be found for 
the alignment ID '%s'." % align_id))
+            warn(RelaxWarning("No back-calculated RDC data can be found for 
the alignment ID '%s', skipping the RDC Q factor calculation for this 
alignment." % align_id))
             continue
 
         # Normalisation factor of 2Da^2(4 + 3R)/5.