r20722 - /branches/relax_disp/user_functions/relax_disp.py -- August 30, 2013 - 10:27

Author: bugman
Date: Fri Aug 30 10:27:06 2013
New Revision: 20722

URL: http://svn.gna.org/viewcvs/relax?rev=20722&view=rev
Log:
Added the 'NS R1rho 2-site' model to the relax_disp.select_model user 
function frontend.

This is the numerical model for the 2-site Bloch-McConnell equations for 
R1rho data.

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=20722&r1=20721&r2=20722&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Fri Aug 30 10:27:06 2013
@@ -40,7 +40,7 @@
 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 MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_TSMFK01, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, 
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_TP02
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_TSMFK01, 
MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, 
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_R1RHO_2SITE, MODEL_TP02
 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
@@ -490,7 +490,8 @@
         "%s: {R1rho', ..., phi_ex, kex}" % MODEL_M61,
         "%s: {R1rho', ..., phi_ex, kex}" % MODEL_DPL94,
         "%s: {R1rho', ..., pA, dw, kex}" % MODEL_M61B,
-        "%s: {R1rho', ..., pA, dw, kex}" % MODEL_TP02
+        "%s: {R1rho', ..., pA, dw, kex}" % MODEL_TP02,
+        "%s: {R20, ..., pA, dw, kex}" % MODEL_NS_R1RHO_2SITE
     ],
     wiz_combo_data = [
         MODEL_R2EFF,
@@ -509,7 +510,8 @@
         MODEL_M61,
         MODEL_DPL94,
         MODEL_M61B,
-        MODEL_TP02
+        MODEL_TP02,
+        MODEL_NS_R1RHO_2SITE
     ],
     wiz_read_only = True
 )
@@ -545,9 +547,10 @@
 uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_CPMG_2SITE_STAR, "The 
reduced 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_CPMG_2SITE_STAR_FULL, 
"The full 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_CPMG_2SITE_EXPANDED, 
"The numerical solution for the 2-site Bloch-McConnell equations expanded 
using Maple by Nikolai Skrynnikov.  It has the parameters {R20, ..., pA, dw, 
kex}.")
-uf.desc[-1].add_paragraph("For the R1rho-type experiment, only the base 
models are currently supported:")
+uf.desc[-1].add_paragraph("For the R1rho-type experiment, the currently 
supported models are:")
 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,")
+uf.desc[-1].add_item_list_element("'%s'" % MODEL_NS_R1RHO_2SITE, "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_paragraph("Again as for the analytic models, except for '%s' 
and '%s', these CPMG and R1rho models are fit to clusterings of spins, or 
spin blocks.  All models are described in full detail in the relax user 
manual." % (MODEL_R2EFF, MODEL_NOREX))
 # Prompt examples.
 uf.desc.append(Desc_container("Prompt examples"))