mailr22962 - /trunk/lib/dispersion/b14.py


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Posted by tlinnet on May 05, 2014 - 20:18:
Author: tlinnet
Date: Mon May  5 20:18:14 2014
New Revision: 22962

URL: http://svn.gna.org/viewcvs/relax?rev=22962&view=rev
Log:
Changed all instances of R2g with r20a. This is to be consistent with the 
relax nomenclature.

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=22962&r1=22961&r2=22962&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May  5 20:18:14 2014
@@ -132,8 +132,6 @@
 
     # Conversion from relax parameters, to the exact code of Baldwin.
     pb = 1 - pA
-    R2e = r20b
-    R2g = r20a
     Trel = relax_time
     ncyc = power
 
@@ -143,7 +141,7 @@
     pa=(1-pb)
     keg=kex*(1-pb)
     kge=kex*pb
-    deltaR2=r20b-R2g
+    deltaR2=r20b-r20a
     #  This is not used
     #nu_cpmg=ncyc/Trel
     #tcp=Trel/(4.0*ncyc)  #time for one free precession element
@@ -164,7 +162,7 @@
     t2=(dw+g4)*(complex(dw,-g3))/(NNc) #t2
     t1pt2=complex(2*dw**2,-g1)/(NNc)     #t1+t2
     oGt2=complex((deltaR2+keg-kge-g3),(dw-g4))*t2  #-2*oG*t2
-    Rpre=(R2g+r20b+kex)/2.0   #-1/Trel*log(LpreDyn)
+    Rpre=(r20a+r20b+kex)/2.0   #-1/Trel*log(LpreDyn)
     E0= 2.0*tcp*g3  #derived from relaxation       #E0=-2.0*tcp*(f00R-f11R)
     E2= 2.0*tcp*g4  #derived from chemical shifts  
#E2=complex(0,-2.0*tcp*(f00I-f11I))
     E1=(complex(g3,-g4))*tcp    #mixed term (complex) (E0-iE2)/2




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