r21487 - /branches/relax_disp/auto_analyses/relax_disp.py -- November 17, 2013 - 14:10

Author: bugman
Date: Sun Nov 17 14:10:19 2013
New Revision: 21487

URL: http://svn.gna.org/viewcvs/relax?rev=21487&view=rev
Log:
Added the 'TAP03' model to the dispersion auto-analysis.

This is the Trott, Abergel and Palmer 2003 R1rho analytic model for 2-site 
off-resonance exchange.

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


Modified:
    branches/relax_disp/auto_analyses/relax_disp.py

Modified: branches/relax_disp/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/auto_analyses/relax_disp.py?rev=21487&r1=21486&r2=21487&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Sun Nov 17 14:10:19 2013
@@ -36,7 +36,7 @@
 from pipe_control.pipes import has_pipe
 from prompt.interpreter import Interpreter
 from specific_analyses.relax_disp.disp_data import has_exponential_exp_type, 
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, loop_frq
-from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_ANALYTIC, 
MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, 
MODEL_M61B, MODEL_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72, 
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_LIST_NUMERIC, 
MODEL_R2EFF, MODEL_TP02, MODEL_TSMFK01
+from specific_analyses.relax_disp.variables import MODEL_CR72, 
MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_ANALYTIC, 
MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, 
MODEL_M61B, MODEL_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72, 
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_LIST_NUMERIC, 
MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01
 from status import Status; status = Status()
 
 
@@ -462,7 +462,7 @@
         #    self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2', file='r1rho0.agr', dir=path, force=True)
 
         # The pA and pB parameters.
-        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, 
MODEL_M61B, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_MP05]:
+        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, 
MODEL_M61B, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_TAP03, MODEL_MP05]:
             self.interpreter.value.write(param='pA', file='pA.out', 
dir=path, force=True)
             self.interpreter.value.write(param='pB', file='pB.out', 
dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='pA', file='pA.agr', dir=path, force=True)
@@ -481,7 +481,7 @@
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='phi_ex_C', file='phi_ex_C.agr', dir=path, force=True)
 
         # The dw parameter.
-        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, 
MODEL_M61B, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_MP05, MODEL_TSMFK01]:
+        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, 
MODEL_M61B, MODEL_MQ_CR72, MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_TSMFK01]:
             self.interpreter.value.write(param='dw', file='dw.out', 
dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='dw', file='dw.agr', dir=path, force=True)
 
@@ -491,7 +491,7 @@
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='dwH', file='dwH.agr', dir=path, force=True)
 
         # The k_AB, kex and tex parameters.
-        if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, 
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_MQ_CR72, 
MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_MP05]:
+        if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, 
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, MODEL_MQ_CR72, 
MODEL_MMQ_2SITE, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_TP02, MODEL_TAP03, 
MODEL_MP05]:
             self.interpreter.value.write(param='k_AB', file='k_AB.out', 
dir=path, force=True)
             self.interpreter.value.write(param='kex', file='kex.out', 
dir=path, force=True)
             self.interpreter.value.write(param='tex', file='tex.out', 
dir=path, force=True)