mailr20770 - /branches/relax_disp/auto_analyses/relax_disp.py


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Posted by edward on September 03, 2013 - 15:45:
Author: bugman
Date: Tue Sep  3 15:45:47 2013
New Revision: 20770

URL: http://svn.gna.org/viewcvs/relax?rev=20770&view=rev
Log:
Added the 'NS R1rho 2-site' model to the dispersion 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=20770&r1=20769&r2=20770&view=diff
==============================================================================
--- branches/relax_disp/auto_analyses/relax_disp.py (original)
+++ branches/relax_disp/auto_analyses/relax_disp.py Tue Sep  3 15:45:47 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 loop_frq
-from specific_analyses.relax_disp.variables import CPMG_EXP, FIXED_TIME_EXP, 
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_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_R2EFF, R1RHO_EXP
+from specific_analyses.relax_disp.variables import CPMG_EXP, FIXED_TIME_EXP, 
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_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, R1RHO_EXP
 from status import Status; status = Status()
 
 
@@ -389,7 +389,7 @@
         #    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_M61B, 
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]:
+        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, 
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]:
             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)
@@ -413,12 +413,12 @@
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='padw2', file='padw2.agr', dir=path, force=True)
 
         # The dw parameter.
-        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, 
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]:
+        if model in [None, MODEL_CR72, MODEL_CR72_FULL, MODEL_M61B, 
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]:
             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)
 
         # The kex and tex parameters.
-        if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, 
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, 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]:
+        if model in [None, MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, 
MODEL_IT99, MODEL_M61, MODEL_DPL94, MODEL_M61B, 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]:
             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)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='kex', file='kex.agr', dir=path, force=True)




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