r25860 - /trunk/specific_analyses/relax_disp/optimisation.py -- September 16, 2014 - 19:52

Author: tlinnet
Date: Tue Sep 16 19:52:12 2014
New Revision: 25860

URL: http://svn.gna.org/viewcvs/relax?rev=25860&view=rev
Log:
Better check for math domain error in intensity propertionality.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for 
the repeated analysis of dispersion data.

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=25860&r1=25859&r2=25860&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/optimisation.py  (original)
+++ trunk/specific_analyses/relax_disp/optimisation.py  Tue Sep 16 19:52:12 
2014
@@ -287,8 +287,14 @@
             intensity_err = average_intensity(spin=spin, exp_type=exp_type, 
frq=frq, offset=offset, point=point, time=time, error=True)
 
             # Check for math domain errors or log for values less than 0.0.
-            log_val = float(intensity) / ref_intensity
-            if log_val <= 0.0 or ref_intensity == 0.0:
+            if ref_intensity == 0.0:
+                skip_data = True
+            elif float(intensity) / ref_intensity <= 0.0:
+                skip_data = True
+            else:
+                skip_data = False
+
+            if skip_data:
                 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))