r25495 - /trunk/specific_analyses/relax_fit/optimisation.py -- September 01, 2014 - 01:16

Author: tlinnet
Date: Mon Sep  1 01:16:17 2014
New Revision: 25495

URL: http://svn.gna.org/viewcvs/relax?rev=25495&view=rev
Log:
Fix for inf values beeing returned from C-code exponential function. Values 
are now converted to high values.

This fixes systemtest Relax_disp.test_finite_value.

Example:
x = np.array([np.inf, -np.inf, np.nan, -128, 128])
np.nan_to_num(x)
array([  1.79769313e+308,  -1.79769313e+308,   0.00000000e+000,
        -1.28000000e+002,   1.28000000e+002])

bug #22552(https://gna.org/bugs/index.php?22552): Chi2 value returned from 
C-code Curve-fitting return 0.0 for wrong parameters -> Expected influence on 
Monte-Carlo sim.
Ref: http://docs.scipy.org/doc/numpy/reference/generated/numpy.nan_to_num.html

Modified:
    trunk/specific_analyses/relax_fit/optimisation.py

Modified: trunk/specific_analyses/relax_fit/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_fit/optimisation.py?rev=25495&r1=25494&r2=25495&view=diff
==============================================================================
--- trunk/specific_analyses/relax_fit/optimisation.py   (original)
+++ trunk/specific_analyses/relax_fit/optimisation.py   Mon Sep  1 01:16:17 
2014
@@ -23,7 +23,7 @@
 """The R1 and R2 exponential relaxation curve fitting optimisation 
functions."""
 
 # Python module imports.
-from numpy import array, float64, ndarray
+from numpy import array, float64, ndarray, nan_to_num
 
 # relax module imports.
 from dep_check import C_module_exp_fn
@@ -95,7 +95,7 @@
     chi2 = func(params)
 
     # Return the chi2 value.
-    return chi2
+    return nan_to_num(chi2)
 
 
 def dfunc_wrapper(params):