r20408 - /branches/relax_disp/user_functions/relax_disp.py -- July 19, 2013 - 11:06

Author: bugman
Date: Fri Jul 19 11:06:15 2013
New Revision: 20408

URL: http://svn.gna.org/viewcvs/relax?rev=20408&view=rev
Log:
Added the 'LM63 3-site' model to the relax_disp.select_model user function 
frontend.

This is the Luz and Meiboom 1963 analytic model for three exchanging sites.

This commit follows step 2 of the relaxation dispersion model addition 
tutorial
(http://thread.gmane.org/gmane.science.nmr.relax.devel/3907).


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=20408&r1=20407&r2=20408&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Fri Jul 19 11:06:15 2013
@@ -39,7 +39,7 @@
 from specific_analyses.relax_disp.disp_data import cpmg_frq, 
plot_disp_curves, plot_exp_curves, relax_time, spin_lock_field
 from specific_analyses.relax_disp.nessy import nessy_input
 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_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
+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
 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
@@ -440,6 +440,7 @@
         "%s: {R2eff/R1rho, I0}" % MODEL_R2EFF,
         "%s: {R20, ...}" % MODEL_NOREX,
         "%s: {R20, ..., phi_ex, kex}" % MODEL_LM63,
+        "%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,
         "%s: {R20, ..., phi_ex, padw2, kex}" % MODEL_IT99,
@@ -456,6 +457,7 @@
         MODEL_R2EFF,
         MODEL_NOREX,
         MODEL_LM63,
+        MODEL_LM63_3SITE,
         MODEL_CR72,
         MODEL_CR72_FULL,
         MODEL_IT99,
@@ -479,6 +481,7 @@
 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_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}.")
 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, ..., phi_ex, padw2, kex}.")