Hi Troels,
For this change, the spacing in "i = 2" is not necessary in the
equation and it makes it wider than the sum symbol which should not be
the case. In such docstring equations, the code validation script
gives lots of false positives that you can ignore.
Cheers,
Edward
On 22 July 2014 16:51, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue Jul 22 16:51:32 2014
New Revision: 24622
URL: http://svn.gna.org/viewcvs/relax?rev=24622&view=rev
Log:
Code validation of lib/dispersion/lm63_3site.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_3site.py
Modified: branches/disp_spin_speed/lib/dispersion/lm63_3site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/lm63_3site.py?rev=24622&r1=24621&r2=24622&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/lm63_3site.py (original)
+++ branches/disp_spin_speed/lib/dispersion/lm63_3site.py Tue Jul 22
16:51:32 2014
@@ -44,10 +44,10 @@
The equation used is::
_3_
- \ phi_ex_i / 4 * nu_cpmg / ki
\ \
+ \ phi_ex_i / 4 * nu_cpmg / ki
\ \
R2eff = R20 + > -------- * | 1 - ----------- * tanh | -----------
| | .
/__ ki \ ki \ 4 * nu_cpmg
/ /
- i=2
+ i = 2
For deconvoluting the parameters, see the relax user manual or the
reference:
@@ -94,10 +94,13 @@
# Once off parameter conversions.
# The phi_ex_B / kB parameter value.
rex_B = phi_ex_B / kB
+
# The phi_ex_C / kC parameter value.
rex_C = phi_ex_C / kC
+
# Approximate chemical exchange rate constant between sites A and B
(the exchange rate in rad/s) divided by 4.
quart_kB = kB / 4.0
+
# Approximate chemical exchange rate constant between sites A and C
(the exchange rate in rad/s) divided by 4.
quart_kC = kC / 4.0
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Re: r24622 - /branches/disp_spin_speed/lib/dispersion/lm63_3site.py