r19474 - /trunk/pipe_control/spectrum.py -- April 13, 2013 - 18:25

Author: bugman
Date: Sat Apr 13 18:25:14 2013
New Revision: 19474

URL: http://svn.gna.org/viewcvs/relax?rev=19474&view=rev
Log:
Added a warning for the spectrum.read user function if a peak intensity of 
zero is encountered.

This value can cause singular matrix failures in certain optimisation.


Modified:
    trunk/pipe_control/spectrum.py

Modified: trunk/pipe_control/spectrum.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/spectrum.py?rev=19474&r1=19473&r2=19474&view=diff
==============================================================================
--- trunk/pipe_control/spectrum.py (original)
+++ trunk/pipe_control/spectrum.py Sat Apr 13 18:25:14 2013
@@ -648,6 +648,10 @@
         # Extract the data.
         H_name, X_name, spin_id, intensity, line = intensity_data[i]
 
+        # Sanity check.
+        if intensity == 0.0:
+            warn(RelaxWarning("A peak intensity of zero has been encountered 
for the spin '%s' - this could be fatal later on." % spin_id))
+
         # Skip data.
         if (X_name and X_name != heteronuc) or (H_name and H_name != proton):
             warn(RelaxWarning("Proton and heteronucleus names do not match, 
skipping the data %s." % line))