r23008 - /trunk/lib/dispersion/b14.py -- May 06, 2014 - 17:23

Author: tlinnet
Date: Tue May  6 17:23:51 2014
New Revision: 23008

URL: http://svn.gna.org/viewcvs/relax?rev=23008&view=rev
Log:
Speed-up. Made "1" and "2" integers to float, to prevent python conversion.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging


Modified:
    trunk/lib/dispersion/b14.py

Modified: trunk/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23008&r1=23007&r2=23008&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Tue May  6 17:23:51 2014
@@ -175,7 +175,7 @@
     t2 = (dw + g4) * complex(dw, -g3) / NNc
 
     # t1 + t2.
-    t1pt2 = complex(2 * dw2, zeta) / NNc
+    t1pt2 = complex(2. * dw2, zeta) / NNc
 
     # -2 * oG * t2.
     oGt2 = complex(-alpha_m - g3, dw - g4) * t2
@@ -203,14 +203,14 @@
     ex1c = sinh(E1)
 
     # Exact result for v2v3.
-    v3 = sqrt(ex0b**2 - 1)
+    v3 = sqrt(ex0b**2 - 1.)
 
     y = power( (ex0b - v3) / (ex0b + v3), ncyc)
 
     # Off diagonal common factor. sinh fuctions.
-    v2pPdN = complex(-deltaR2 + kex, dw) * ex0c + (-oGt2 - k_AB * t1pt2) * 2 
* ex1c
-
-    Tog = (1 + y) / 2 + (1 - y) / (2 * v3) * v2pPdN / N
+    v2pPdN = complex(-deltaR2 + kex, dw) * ex0c + (-oGt2 - k_AB * t1pt2) * 
2. * ex1c
+
+    Tog = (1. + y) / 2. + (1. - y) / (2. * v3) * v2pPdN / N
 
     # Estimate R2eff. relax_time = Trel = 1/inv_tcpmg.
     Minty = Rpre - ncyc * inv_tcpmg * arccosh(ex0b.real) - inv_tcpmg * 
log(Tog.real)