Hi Troels,
This looks nicer, but you now can't use the trick in point one at
http://thread.gmane.org/gmane.science.nmr.relax.devel/5635 to speed up
the code. The previous code:
- Minty = Rpre - inv_tcpmg * ( ncyc * arccosh(v1c.real) + log(Tog.real) )
actually used this trick and is hence faster. It might be better to
stay with the faster code?
Regards,
Edward
On 7 May 2014 15:55, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Wed May 7 15:55:02 2014
New Revision: 23055
URL: http://svn.gna.org/viewcvs/relax?rev=23055&view=rev
Log:
Re-wrote 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=23055&r1=23054&r2=23055&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Wed May 7 15:55:02 2014
@@ -226,11 +226,14 @@
# -1/Trel * log(LpreDyn).
Rpre = (r20a + r20b + kex) / 2.0
+ # Carver and Richards (1972)
+ R2eff_CR72 = Rpre - inv_tcpmg * ncyc * arccosh(v1c.real)
+
# Estimate R2eff. relax_time = Trel = 1/inv_tcpmg.
- Minty = Rpre - inv_tcpmg * ( ncyc * arccosh(v1c.real) + log(Tog.real)
)
+ R2eff = R2eff_CR72 - inv_tcpmg * log(Tog.real)
# Loop over the time points, back calculating the R2eff values.
for i in range(num_points):
# The full formula.
- back_calc[i] = Minty[i]
+ back_calc[i] = R2eff[i]
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Re: r23055 - /trunk/lib/dispersion/b14.py