Re: r20630 - /branches/relax_disp/user_functions/relax_disp.py -- August 30, 2013

Hi Troels,

Looking back at this commit, I've noticed that the position of the
TSMFK01 model should be changed.  These models are ordered by date
(excluding the 'R2eff' and 'No Rex' models).  Could you shift this
model to the end of the list in all positions?  Make sure you have
commit r20722 in your repository, as otherwise the commit may not
work.

Cheers,

Edward


On 18 August 2013 20:22,  <edward@xxxxxxxxxxxxx> wrote:

Author: bugman
Date: Sun Aug 18 20:22:45 2013
New Revision: 20630

URL: http://svn.gna.org/viewcvs/relax?rev=20630&view=rev
Log:
Added the TSMFK01 model to the user_functions/relax_disp.py select_model 
user function frontend.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation 
of Tollinger/Kay dispersion model (2001)
Following the guide at: 
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ 
gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>

Modified:
    branches/relax_disp/user_functions/relax_disp.py

Modified: branches/relax_disp/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=20630&r1=20629&r2=20630&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Sun Aug 18 20:22:45 
2013
@@ -40,7 +40,7 @@
 from specific_analyses.relax_disp.nessy import nessy_input
 from specific_analyses.relax_disp.parameters import copy
 from specific_analyses.relax_disp.sherekhan import sherekhan_input
-from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_3D, 
MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_EXPANDED, MODEL_NS_2SITE_STAR, 
MODEL_NS_2SITE_STAR_FULL, MODEL_TP02
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_TSMFK01, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, 
MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_FULL, MODEL_NS_2SITE_EXPANDED, 
MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_FULL, MODEL_TP02
 from specific_analyses.setup import relax_disp_obj
 from user_functions.data import Uf_info; uf_info = Uf_info()
 from user_functions.objects import Desc_container
@@ -477,6 +477,7 @@
         "%s: {R2eff/R1rho, I0}" % MODEL_R2EFF,
         "%s: {R20, ...}" % MODEL_NOREX,
         "%s: {R20, ..., phi_ex, kex}" % MODEL_LM63,
+        "%s: {R20A, ..., dw, kA}" % MODEL_TSMFK01,
         "%s: {R20, ..., phi_ex, kex, phi_ex2, kex2}" % MODEL_LM63_3SITE,
         "%s: {R20, ..., pA, dw, kex}" % MODEL_CR72,
         "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_CR72_FULL,
@@ -495,6 +496,7 @@
         MODEL_R2EFF,
         MODEL_NOREX,
         MODEL_LM63,
+        MODEL_TSMFK01,
         MODEL_LM63_3SITE,
         MODEL_CR72,
         MODEL_CR72_FULL,
@@ -520,6 +522,7 @@
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_R2EFF, "This is the model 
used to determine the R2eff values and errors required as the base data for 
all other models,")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX, "This is the model 
for no chemical exchange being present,")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63, "The original Luz 
and Meiboom (1963) 2-site fast exchange equation with parameters {R20, ..., 
phi_ex, kex},")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_TSMFK01, "The Tollinger, 
Kay et al. (2001) 2-site very-slow exchange model, range of microsecond to 
second time scale.  Applicable in the limit of slow exchange, when 
|R20A-R20B| << kA,kB << 1/tau_CP.  R20A is the transverse relaxation rate 
of site A in the absence of exchange.  2*tau_CP is is the time between 
successive 180 deg. pulses.  The parameters are {R20A, ..., dw, kA}.")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63_3SITE, "The original 
Luz and Meiboom (1963) 3-site fast exchange equation with parameters {R20, 
..., phi_ex, kex, phi_ex2, kex2},")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72, "The reduced Carver 
and Richards (1972) 2-site equation for all time scales whereby the 
simplification R20A = R20B is assumed.  The parameters are {R20, ..., pA, 
dw, kex}.")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72_FULL, "The full 
Carver and Richards (1972) 2-site equation for all time scales with 
parameters {R20A, R20B, ..., pA, dw, kex}.")


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Re: r20630 - /branches/relax_disp/user_functions/relax_disp.py

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