r25717 - /trunk/specific_analyses/relax_disp/optimisation.py -- September 09, 2014 - 15:07

Author: tlinnet
Date: Tue Sep  9 15:07:37 2014
New Revision: 25717

URL: http://svn.gna.org/viewcvs/relax?rev=25717&view=rev
Log:
Fix for two-point calculatation of exponential curve with corrupted data.

The two-point calculatation calculation is now also skipped, if the measured 
intensity is 0.
This can happen for corrupted intensity files.

Modified:
    trunk/specific_analyses/relax_disp/optimisation.py

Modified: trunk/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/optimisation.py?rev=25717&r1=25716&r2=25717&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/optimisation.py  (original)
+++ trunk/specific_analyses/relax_disp/optimisation.py  Tue Sep  9 15:07:37 
2014
@@ -288,7 +288,7 @@
 
             # Check for math domain errors or log for values less than 0.0.
             log_val = float(intensity) / ref_intensity
-            if log_val < 0.0:
+            if log_val <= 0.0 :
                 spin_string = generate_spin_string(spin=spin, 
mol_name=mol_name, res_num=resi, res_name=resn)
                 msg = "Math log(I / I_ref) domain error for spin '%s' in 
R2eff value calculation for fixed relaxation time period data.  I=%3.3f, 
I_ref=%3.3f.  The point is skipped." % (spin_string, intensity, ref_intensity)
                 warn(RelaxWarning("%s" % msg))