r23304 - /branches/disp_speed/lib/dispersion/it99.py -- May 21, 2014 - 13:03

Author: tlinnet
Date: Wed May 21 13:03:09 2014
New Revision: 23304

URL: http://svn.gna.org/viewcvs/relax?rev=23304&view=rev
Log:
Removing unnecessary math-domain catching for model IT99.

task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models..

The denominator is always positive.

Modified:
    branches/disp_speed/lib/dispersion/it99.py

Modified: branches/disp_speed/lib/dispersion/it99.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_speed/lib/dispersion/it99.py?rev=23304&r1=23303&r2=23304&view=diff
==============================================================================
--- branches/disp_speed/lib/dispersion/it99.py  (original)
+++ branches/disp_speed/lib/dispersion/it99.py  Wed May 21 13:03:09 2014
@@ -73,7 +73,7 @@
 """
 
 # Python module imports.
-from numpy import abs, array, isfinite, min, sqrt, sum
+from numpy import array, isfinite, sqrt, sum
 
 
 def r2eff_IT99(r20=None, pA=None, pB=None, dw=None, tex=None, 
cpmg_frqs=None, num_points=None):
@@ -119,13 +119,6 @@
     omega_a2 = sqrt(omega_1eff4 + pa2dw4)
     denom = 1.0 + omega_a2 * tex2
 
-    # Catch math domain error of dividing with 0.
-    # This is when denom=0.
-    if min(abs(denom)) == 0:
-        R2eff = array([1e100]*num_points)
-
-        return R2eff
-
     # R2eff calculation.
     R2eff = r20 + numer / denom