r20380 - /branches/relax_disp/lib/dispersion/ns_2site_expanded.py -- July 17, 2013 - 20:22

Author: bugman
Date: Wed Jul 17 20:22:45 2013
New Revision: 20380

URL: http://svn.gna.org/viewcvs/relax?rev=20380&view=rev
Log:
Fixes for the lib.dispersion.ns_2site_expanded module.

These problems were identified using the 
Relax_disp.test_hansen_cpmg_data_ns_2site_expanded system
test.  They correspond to the issues with the original fitting_main_kex.py 
program identified by
Mathilde Lescanne in her post at 
http://thread.gmane.org/gmane.science.nmr.relax.devel/4144.


Modified:
    branches/relax_disp/lib/dispersion/ns_2site_expanded.py

Modified: branches/relax_disp/lib/dispersion/ns_2site_expanded.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/ns_2site_expanded.py?rev=20380&r1=20379&r2=20380&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/ns_2site_expanded.py (original)
+++ branches/relax_disp/lib/dispersion/ns_2site_expanded.py Wed Jul 17 
20:22:45 2013
@@ -79,16 +79,16 @@
     t14 = 2.0 * t3 * k_AB*dw
     t15 = k_AB * k_AB
     t17 = sqrt(t5 - t8 + t10 - t11 + t14 + t15)
-    t21 = exp((-k_BA + t4 - k_AB + t17) * tcp/4.0)
+    t21 = exp((-k_BA + t4 - k_AB + t17) * tcp/2.0)
     t22 = 1.0/t17
-    t28 = exp((-k_BA + t4 - k_AB - t17) * tcp/4.0)
+    t28 = exp((-k_BA + t4 - k_AB - t17) * tcp/2.0)
     t31 = t21 * t22 * k_AB - t28 * t22 * k_AB
     t33 = sqrt(t5 + t8 + t10 - t11 - t14 + t15)
     t34 = k_BA + t4 - k_AB + t33
-    t37 = exp((-k_BA - t4 - k_AB + t33) * tcp/2.0)
+    t37 = exp((-k_BA - t4 - k_AB + t33) * tcp)
     t39 = 1.0/t33
     t41 = k_BA + t4 - k_AB - t33
-    t44 = exp((-k_BA - t4 - k_AB - t33) * tcp/2.0)
+    t44 = exp((-k_BA - t4 - k_AB - t33) * tcp)
     t47 = t34 * t37 * t39/2.0 - t41 * t44 * t39/2.0
     t49 = k_BA - t4 - k_AB - t17
     t51 = t21 * t49 * t22
@@ -118,7 +118,7 @@
     t108 = t62 * t88 + t82 * t31
     t112 = sqrt(t98 - 2.0 * t99 * t97 + t102 + 4.0 * (t91 * t68/2.0 + t95 * 
t55/2.0) * t108)
     t113 = t69 + t83 - t92 - t96 - t112
-    t115 = num_cpmg / 2.0
+    t115 = num_cpmg
     t116 = power(t69/2.0 + t83/2.0 + t92/2.0 + t96/2.0 + t112/2.0, t115)
     t118 = 1.0/t112
     t120 = t69 + t83 - t92 - t96 + t112