r20360 - /branches/relax_disp/user_functions/relax_disp.py -- July 17, 2013 - 15:41

Author: bugman
Date: Wed Jul 17 15:41:31 2013
New Revision: 20360

URL: http://svn.gna.org/viewcvs/relax?rev=20360&view=rev
Log:
Added the 'NS 2-site expanded' model to the relax_disp.select_model user 
function frontend.

This is the numerical model for the 2-site Bloch-McConnell equations expanded 
using Maple by Nikolai
Skrynnikov.

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=20360&r1=20359&r2=20360&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Wed Jul 17 15:41:31 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_RED, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_M61, MODEL_M61B, 
MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_RED, 
MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_RED
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_RED, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_M61, MODEL_M61B, 
MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_3D, MODEL_NS_2SITE_3D_RED, 
MODEL_NS_2SITE_EXPANDED, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_RED
 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
@@ -447,6 +447,7 @@
         "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_NS_2SITE_3D,
         "%s: {R20, ..., pA, dw, kex}" % MODEL_NS_2SITE_STAR_RED,
         "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_NS_2SITE_STAR,
+        "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_NS_2SITE_EXPANDED,
         "%s: {R1rho', ..., phi_ex, kex}" % MODEL_M61,
         "%s: {R1rho', ..., phi_ex, kex}" % MODEL_DPL94,
         "%s: {R1rho', ..., pA, dw, kex}" % MODEL_M61B
@@ -462,6 +463,7 @@
         MODEL_NS_2SITE_3D,
         MODEL_NS_2SITE_STAR_RED,
         MODEL_NS_2SITE_STAR,
+        MODEL_NS_2SITE_EXPANDED,
         MODEL_M61,
         MODEL_DPL94,
         MODEL_M61B
@@ -496,6 +498,7 @@
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_2SITE_3D, "The numerical 
solution for the 2-site Bloch-McConnell equations using 3D magnetisation 
vectors.  Its parameters are {R20A, R20B, ..., pA, dw, kex}.")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_2SITE_STAR_RED, "The 
numerical solution for the 2-site Bloch-McConnell equations using complex 
conjugate matrices whereby the simplification R20A = R20B is assumed.  It has 
the parameters {R20, ..., pA, dw, kex}.")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_2SITE_STAR, "The 
numerical solution for the 2-site Bloch-McConnell equations using complex 
conjugate matrices with parameters {R20A, R20B, ..., pA, dw, kex}.")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_2SITE_EXPANDED, "The 
numerical solution for the 2-site Bloch-McConnell equationsexpanded using 
Maple by Nikolai Skrynnikov.  It has the parameters {R20A, R20B, ..., pA, dw, 
kex}.")
 uf.desc[-1].add_paragraph("For the R1rho-type experiment, only the base 
models are currently supported:")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_R2EFF, "This is the same 
model model as for the CPMG-type experiments except that the R1rho and not 
R2eff values are determined.")
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX, "This is the model 
for no chemical exchange being present,")