Hi Troels!
It looks like you're back :) I hope you had a great holiday! Just so
you know, it'll be my turn in a week and a half.
Did you see my message at
http://article.gmane.org/gmane.science.nmr.relax.devel/6491 ? I think
that if we include both sets of changes, it would really increase the
impact of the release. It would be a good reason to have your super
fast code together with an increase the minor version number.
For the change here, I have one suggestion. You need to know about
the trick of using a "\" character at the end of the line. In Python,
this actually means that the line continues despite the newline
character. To avoid this in such equations, I always add a space
after the "\" so that the end of the line is "\ ". Without this, the
equation will be distorted in the API documentation
(http://www.nmr-relax.com/api/3.1/lib.dispersion.lm63-module.html),
with the next R2eff line being joined to the end of this one.
Cheers,
Edward
On 22 July 2014 16:51, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue Jul 22 16:51:33 2014
New Revision: 24623
URL: http://svn.gna.org/viewcvs/relax?rev=24623&view=rev
Log:
Code validation of lib/dispersion/lm63.py.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/lib/dispersion/lm63.py
Modified: branches/disp_spin_speed/lib/dispersion/lm63.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/lm63.py?rev=24623&r1=24622&r2=24623&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/lm63.py (original)
+++ branches/disp_spin_speed/lib/dispersion/lm63.py Tue Jul 22 16:51:33
2014
@@ -43,7 +43,7 @@
The equation used is::
- phi_ex / 4 * nu_cpmg / kex \ \
+ phi_ex / 4 * nu_cpmg / kex \ \
R2eff = R20 + ------ * | 1 - ----------- * tanh | ----------- | | ,
kex \ kex \ 4 * nu_cpmg / /
@@ -67,6 +67,7 @@
# Python module imports.
from numpy import isfinite, min, sum, tanh
from numpy.ma import fix_invalid, masked_where
+
def r2eff_LM63(r20=None, phi_ex=None, kex=None, cpmg_frqs=None,
back_calc=None):
"""Calculate the R2eff values for the LM63 model.
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Re: r24623 - /branches/disp_spin_speed/lib/dispersion/lm63.py