Re: r22900 - /trunk/user_functions/relax_disp.py -- May 02, 2014

Hi Troels,

Here the model really must be between the 'TSMFK01' CPMG model
(http://wiki.nmr-relax.com/TSMFK01) and 'NS CPMG 2-site 3D' CPMG model
(http://wiki.nmr-relax.com/NS_CPMG_2-site_3D).  Here the ordering is:

- R2eff models,
- Analytic CPMG models,
- Numeric CPMG models,
- Analytic R1rho models,
- Numeric R1rho models.

In each of these sections, the ordering is by date.  So the B14 model
(http://wiki.nmr-relax.com/B14) should be the last of the analytic
CPMG models.  In the future, I might introduce some type of divider
between these 5 major model categories.

Cheers,

Edward


On 1 May 2014 09:17,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Thu May  1 09:17:40 2014
New Revision: 22900

URL: http://svn.gna.org/viewcvs/relax?rev=22900&view=rev
Log:
Added B14 description to the relax_disp.select_model user function front 
end.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
B14 model - 2-site exact solution model for all time scales.

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=22900&r1=22899&r2=22900&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py  (original)
+++ trunk/user_functions/relax_disp.py  Thu May  1 09:17:40 2014
@@ -2,6 +2,7 @@
 #                                                                          
   #
 # Copyright (C) 2004-2014 Edward d'Auvergne                                
   #
 # Copyright (C) 2009 Sebastien Morin                                       
   #
+# Copyright (C) 2014 Troels E. Linnet                                      
   #
 #                                                                          
   #
 # This file is part of the program relax (http://www.nmr-relax.com).       
   #
 #                                                                          
   #
@@ -42,7 +43,7 @@
 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 EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, 
EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_R1RHO, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_CR72, MODEL_MP05, 
MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, 
MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, 
EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, EXP_TYPE_R1RHO, 
MODEL_B14, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MMQ_CR72, 
MODEL_MP05, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, 
MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, 
MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01
 from specific_analyses.relax_disp import uf as relax_disp_uf
 from user_functions.data import Uf_info; uf_info = Uf_info()
 from user_functions.objects import Desc_container
@@ -801,6 +802,7 @@
         "%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),
@@ -829,6 +831,7 @@
         MODEL_NOREX,
         MODEL_LM63,
         MODEL_LM63_3SITE,
+        MODEL_B14,
         MODEL_CR72,
         MODEL_CR72_FULL,
         MODEL_IT99,
@@ -864,6 +867,7 @@
 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},")


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Re: r22900 - /trunk/user_functions/relax_disp.py

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