mailr8006 - /branches/spectral_errors/specific_fns/noe.py


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Posted by edward on November 21, 2008 - 10:33:
Author: bugman
Date: Fri Nov 21 10:33:31 2008
New Revision: 8006

URL: http://svn.gna.org/viewcvs/relax?rev=8006&view=rev
Log:
Added some tests to the NOE calculate() method.


Modified:
    branches/spectral_errors/specific_fns/noe.py

Modified: branches/spectral_errors/specific_fns/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/spectral_errors/specific_fns/noe.py?rev=8006&r1=8005&r2=8006&view=diff
==============================================================================
--- branches/spectral_errors/specific_fns/noe.py (original)
+++ branches/spectral_errors/specific_fns/noe.py Fri Nov 21 10:33:31 2008
@@ -75,6 +75,15 @@
 
         # Test if the current pipe exists.
         pipes.test()
+
+        # Get the current data pipe.
+        cdp = pipes.get_pipe()
+
+        # Test if the 2 spectra ids 'ref' and 'sat' exist.
+        if not 'ref' in cdp.spectrum_ids or not 'sat' in cdp.spectrum_ids:
+            raise RelaxError, "The reference and saturated NOE spectra have 
not been loaded."
+        if len(cdp.spectrum_ids) != 2:
+            raise RelaxError, "The spectrum ids %s should only consist of 
the labels 'ref' and 'sat'." % cdp.spectrum_ids
 
         # Loop over the spins.
         for spin in spin_loop():




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