mailr21129 - /branches/relax_disp/gui/analyses/auto_relax_disp.py


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Posted by edward on October 15, 2013 - 19:51:
Author: bugman
Date: Tue Oct 15 19:51:52 2013
New Revision: 21129

URL: http://svn.gna.org/viewcvs/relax?rev=21129&view=rev
Log:
Added the 'MQ CR72' model to the GUI model list.

This is the Carver and Richards (1972) 2-site model expanded for MQ CPMG data 
by Korzhnev et al.,
2004.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_GUI.


Modified:
    branches/relax_disp/gui/analyses/auto_relax_disp.py

Modified: branches/relax_disp/gui/analyses/auto_relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/gui/analyses/auto_relax_disp.py?rev=21129&r1=21128&r2=21129&view=diff
==============================================================================
--- branches/relax_disp/gui/analyses/auto_relax_disp.py (original)
+++ branches/relax_disp/gui/analyses/auto_relax_disp.py Tue Oct 15 19:51:52 
2013
@@ -48,7 +48,7 @@
 from pipe_control.mol_res_spin import exists_mol_res_spin_data, spin_loop
 from pipe_control.pipes import has_bundle, has_pipe
 from specific_analyses.relax_disp.disp_data import has_cpmg_exp_type, 
has_r1rho_exp_type
-from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, 
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MQ_NS_CPMG_2SITE, 
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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02, 
MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, 
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MQ_CR72, 
MODEL_MQ_NS_CPMG_2SITE, 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_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02, MODEL_TSMFK01
 from status import Status; status = Status()
 
 
@@ -671,6 +671,7 @@
         MODEL_TP02,
         MODEL_NS_R1RHO_2SITE,
         None,
+        MODEL_MQ_CR72,
         MODEL_MQ_NS_CPMG_2SITE
     ]
     params = [
@@ -697,6 +698,7 @@
         "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex),
         None,
         "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex),
+        "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex)
     ]
     model_desc = [
         "The base model for determining the %s/%s values and errors for all 
other models." % (r2eff, r1rho),
@@ -721,6 +723,7 @@
         "The Trott and Palmer (2002) 2-site equation for all time scales.",
         "The 2-site numerical solution using 3D magnetisation vectors.",
         None,
+        "The CR72 2-site model extended to MQ CPMG data by Korzhnev et al., 
2004.",
         "The 2-site numerical solution of Korzhnev et al. (2004) from 
multi-quantum CPMG data."
     ]
     tooltip = "The list of all relaxation dispersion models to be optimised 
as part of the protocol."




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