r22969 - /trunk/lib/dispersion/b14.py -- May 05, 2014 - 20:18

Author: tlinnet
Date: Mon May  5 20:18:26 2014
New Revision: 22969

URL: http://svn.gna.org/viewcvs/relax?rev=22969&view=rev
Log:
Implemented the alpha minus shorting from CR72.

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=22969&r1=22968&r2=22969&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May  5 20:18:26 2014
@@ -142,14 +142,15 @@
     keg=kex*(1-pb)
     kge=kex*pb
     deltaR2=r20a-r20b
+    alpha_m = r20a - r20b  + kge - keg
     #  This is not used
     #nu_cpmg=ncyc/Trel
     #tcp=Trel/(4.0*ncyc)  #time for one free precession element
 
     #########################################################################
     #get the real and imaginary components of the exchange induced shift
-    g1=2*dw*(r20a-r20b+kge-keg)                   #same as carver richards 
zeta
-    g2=(r20a-r20b+kge-keg)**2+4*keg*kge-dw**2   #same as carver richards psi
+    g1=2*dw*alpha_m                            #same as carver richards zeta
+    g2=alpha_m**2+4*keg*kge-dw**2   #same as carver richards psi
     g3=1/sqrt(2)*sqrt(g2+sqrt(g1**2+g2**2))   #trig faster than square roots
     g4=1/sqrt(2)*sqrt(-g2+sqrt(g1**2+g2**2))   #trig faster than square roots
     #########################################################################