Re: r22916 - /trunk/user_functions/relax_disp.py -- May 02, 2014

Hi Troels,

The better link for the tutorial would be
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_disp.select_model_user_function_front_end
rather than 
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list.
 Then it points to the correct section.

Cheers,

Edward


On 2 May 2014 11:57,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Fri May  2 11:57:04 2014
New Revision: 22916

URL: http://svn.gna.org/viewcvs/relax?rev=22916&view=rev
Log:
Re-ordered the model B14 according to release year.

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#Adding_the_model_to_the_list";

The B14 model is explained in: http://wiki.nmr-relax.com/B14.

Modified:
    trunk/user_functions/relax_disp.py

Modified: trunk/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/relax_disp.py?rev=22916&r1=22915&r2=22916&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py  (original)
+++ trunk/user_functions/relax_disp.py  Fri May  2 11:57:04 2014
@@ -802,11 +802,11 @@
         "%s: {%s, ...}" % (MODEL_NOREX, r2),
         "%s: {%s, ..., %s, %s}" % (MODEL_LM63, r2, phi_ex, kex),
         "%s: {%s, ..., %s, kB, %s, kC}" % (MODEL_LM63_3SITE, r2, phi_exB, 
phi_exC),
-        "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_B14, r2a, r2b, dw, kex),
         "%s: {%s, ..., pA, %s, %s}" % (MODEL_CR72, r2, dw, kex),
         "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_CR72_FULL, r2a, r2b, dw, 
kex),
         "%s: {%s, ..., pA, %s, %s}" % (MODEL_IT99, r2, dw, kex),
         "%s: {%s, ..., %s, k_AB}" % (MODEL_TSMFK01, r2a, dw),
+        "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_B14, r2a, r2b, dw, kex),
         "%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_3D, r2, dw, 
kex),
         "%s: {%s, %s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_3D_FULL, 
r2a, r2b, dw, kex),
         "%s: {%s, ..., pA, %s, %s}" % (MODEL_NS_CPMG_2SITE_STAR, r2, dw, 
kex),
@@ -831,11 +831,11 @@
         MODEL_NOREX,
         MODEL_LM63,
         MODEL_LM63_3SITE,
-        MODEL_B14,
         MODEL_CR72,
         MODEL_CR72_FULL,
         MODEL_IT99,
         MODEL_TSMFK01,
+        MODEL_B14,
         MODEL_NS_CPMG_2SITE_3D,
         MODEL_NS_CPMG_2SITE_3D_FULL,
         MODEL_NS_CPMG_2SITE_STAR,
@@ -867,11 +867,11 @@
 uf.desc[-1].add_paragraph("The currently supported analytic models are:")
 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_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_B14, "The Baldwin (2014) 
2-site exact solution model for all time scales with parameters {R20A, 
R20B, ..., pA, dw, kex},")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72, "The reduced Carver 
and Richards (1972) 2-site equation for most 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 most time scales with 
parameters {R20A, R20B, ..., pA, dw, kex},")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_IT99, "The Ishima and 
Torchia (1999) 2-site model for all time scales with pA >> pB and with 
parameters {R20, ..., pA, dw, 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| << k_AB,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, k_AB}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_B14, "The Baldwin (2014) 
2-site exact solution model for all time scales with parameters {R20A, 
R20B, ..., pA, dw, kex},")
 uf.desc[-1].add_paragraph("The currently supported numeric models are:")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_3D, "The 
reduced numerical solution for the 2-site Bloch-McConnell equations using 
3D magnetisation vectors whereby the simplification R20A = R20B is assumed. 
 Its parameters are {R20, ..., pA, dw, kex},")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_3D_FULL, 
"The full numerical solution for the 2-site Bloch-McConnell equations using 
3D magnetisation vectors.  Its parameters are {R20A, R20B, ..., pA, dw, 
kex},")


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Re: r22916 - /trunk/user_functions/relax_disp.py

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