r23333 - /branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py -- May 22, 2014 - 15:19

Author: tlinnet
Date: Thu May 22 15:19:30 2014
New Revision: 23333

URL: http://svn.gna.org/viewcvs/relax?rev=23333&view=rev
Log:
Align math-domain catching for model NS CPMG 2-site expanded with trunk 
implementation.

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

This is to implement catching of math domain errors, before they occur.

The catching of errors have to be more careful.

Modified:
    branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py

Modified: branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py?rev=23333&r1=23332&r2=23333&view=diff
==============================================================================
--- branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py        
(original)
+++ branches/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py        Thu 
May 22 15:19:30 2014
@@ -345,29 +345,7 @@
     t116 = power(0.5*(t97_t99 + t112), t115)
     t118 = 1.0/t112
     t120 = t97_nt99 + t112
-
-    # Catch math domain error of coming power(half_t97_t99_m_t112, NR).
-    # This is when power function calculate above 1.e300 or under -1.e300 or 
represented as less than 1.-e300.
-    half_t97_t99_m_t112 = 0.5*(t97_t99 - t112)
-
-    # First find the index with the highest power.
-    index_max_t115 = argmax(t115)
-
-    # Store the power.
-    max_t115 = t115[index_max_t115]
-
-    # Match the value from half_t97_t99_m_t112.
-    val_half_t97_t99_m_t112 = half_t97_t99_m_t112[index_max_t115]
-
-    # Calculate lowest positive val, which raised to the power will not be 
represented less than 1.-e300.
-    low_pos_rep = power(1.e-300, 1./max_t115)
-
-    # Now test if value in array at the power position is less than this 
value.
-    if val_half_t97_t99_m_t112 < low_pos_rep:
-        R2eff = array([1e100]*num_points)
-        return R2eff
-
-    t122 = power(half_t97_t99_m_t112, t115)
+    t122 = power(0.5*(t97_t99 - t112), t115)
     t127 = 0.5/t108
     t120_t122 = t120*t122
     t139 = 0.5/(k_AB + k_BA) * ((t120_t122 - t113*t116)*t118*k_BA + 
(t120_t122 - t116*t120)*t127*t113*t118*k_AB)