Author: tlinnet
Date: Wed May 7 15:55:00 2014
New Revision: 23054
URL: http://svn.gna.org/viewcvs/relax?rev=23054&view=rev
Log:
Re-order of lines to follow appendix 1 in paper.
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=23054&r1=23053&r2=23054&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Wed May 7 15:55:00 2014
@@ -191,12 +191,6 @@
# t1 + t2.
F1a_plus_b = (2. * dw2 + zeta*1j) / NNc
- # -2 * oG * t2.
- v4 = F1b * (-alpha_m - g3 ) + F1b * (dw - g4)*1j
-
- # -1/Trel * log(LpreDyn).
- Rpre = (r20a + r20b + kex) / 2.0
-
# Derived from relaxation.
# E0 = -2.0 * tcp * (F00R - f11R).
E0 = two_tcp * g3
@@ -213,18 +207,24 @@
# Complex.
v1s = F0 * sinh(E0) - F2 * sin(E2)*1j
+ # Exact result for v2v3.
+ v3 = sqrt(v1c**2 - 1.)
+
+ # -2 * oG * t2.
+ v4 = F1b * (-alpha_m - g3 ) + F1b * (dw - g4)*1j
+
# Complex.
ex1c = sinh(E1)
- # Exact result for v2v3.
- v3 = sqrt(v1c**2 - 1.)
-
- y = power( (v1c - v3) / (v1c + v3), ncyc)
-
# Off diagonal common factor. sinh fuctions.
v5 = (-deltaR2 + kex + dw*1j) * v1s - 2. * (v4 + k_AB * F1a_plus_b) *
ex1c
+ y = power( (v1c - v3) / (v1c + v3), ncyc)
+
Tog = 0.5 * (1. + y) + (1. - y) * v5 / (2. * v3 * N )
+
+ # -1/Trel * log(LpreDyn).
+ Rpre = (r20a + r20b + kex) / 2.0
# Estimate R2eff. relax_time = Trel = 1/inv_tcpmg.
Minty = Rpre - inv_tcpmg * ( ncyc * arccosh(v1c.real) + log(Tog.real) )
r23054 - /trunk/lib/dispersion/b14.py