r20349 - /branches/relax_disp/user_functions/relax_disp.py -- July 17, 2013 - 11:56

Author: bugman
Date: Wed Jul 17 11:56:11 2013
New Revision: 20349

URL: http://svn.gna.org/viewcvs/relax?rev=20349&view=rev
Log:
Added the 'NS 2-site 3D red' model to the relax_disp.select_model user 
function frontend.

This is the 'NS 2-site 3D' model with R20A = R20B = R20.

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=20349&r1=20348&r2=20349&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Wed Jul 17 11:56:11 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_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_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
@@ -443,6 +443,7 @@
         "%s: {R20, ..., pA, dw, kex}" % MODEL_CR72_RED,
         "%s: {R20A, R20B, ..., pA, dw, kex}" % MODEL_CR72,
         "%s: {R20, ..., phi_ex, padw2, kex}" % MODEL_IT99,
+        "%s: {R20, ..., pA, dw, kex}" % MODEL_NS_2SITE_3D_RED,
         "%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,
@@ -457,6 +458,7 @@
         MODEL_CR72_RED,
         MODEL_CR72,
         MODEL_IT99,
+        MODEL_NS_2SITE_3D_RED,
         MODEL_NS_2SITE_3D,
         MODEL_NS_2SITE_STAR_RED,
         MODEL_NS_2SITE_STAR,
@@ -490,6 +492,7 @@
 uf.desc[-1].add_paragraph("The Bloch-McConnell equations can also be solved 
numerically.  The numeric models are also dependent upon whether the data 
originates from a CPMG-type or R1rho-type experiment.  For the CPMG-type 
experiments, the currently supported models are:")
 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_NS_2SITE_3D_RED, "The 
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_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}.")