Hi Troels,
If you look at target_functions.relax_disp, you will see the
self.inv_relax_times structure created in the __init__() method. Have
a look at func_mmq_CR72() for an example of its usage. This should
speed things up a little - I created it to squeeze a little bit of
speed out of the other dispersion models which use 1/relax_time.
Regards,
Edward
On 5 May 2014 20:18, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Mon May 5 20:18:50 2014
New Revision: 22982
URL: http://svn.gna.org/viewcvs/relax?rev=22982&view=rev
Log:
Replaced Trel with relax_time, to use relax parameter conventions.
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=22982&r1=22981&r2=22982&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May 5 20:18:50 2014
@@ -132,7 +132,6 @@
# Conversion from relax parameters, to the exact code of Baldwin.
pb = 1 - pA
- Trel = relax_time
#########################################################################
##### Baldwins code.
@@ -142,9 +141,6 @@
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
@@ -208,8 +204,8 @@
Tog = (1 + y) / 2 + (1 - y) / (2 * v3) * v2pPdN / N
- # Estimate R2eff.
- Minty = Rpre - ncyc/Trel * arccosh(ex0b.real) - 1/Trel * log(Tog.real)
+ # Estimate R2eff. relax_time = Trel.
+ Minty = Rpre - ncyc/relax_time * arccosh(ex0b.real) - 1/relax_time *
log(Tog.real)
# Loop over the time points, back calculating the R2eff values.
for i in range(num_points):
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Re: r22982 - /trunk/lib/dispersion/b14.py