r24960 - /branches/R1_fitting/auto_analyses/relax_disp.py -- August 05, 2014 - 13:52

Author: tlinnet
Date: Tue Aug  5 13:52:42 2014
New Revision: 24960

URL: http://svn.gna.org/viewcvs/relax?rev=24960&view=rev
Log:
Replaced in auto analysis all instances of 'No Rex' and 'R2eff' with its 
equivalent defined variables.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/auto_analyses/relax_disp.py

Modified: branches/R1_fitting/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24960&r1=24959&r2=24960&view=diff
==============================================================================
--- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
+++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug  5 13:52:42 
2014
@@ -38,7 +38,7 @@
 from prompt.interpreter import Interpreter
 from specific_analyses.relax_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.data import INTERPOLATE_DISP, 
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, 
Y_AXIS_R2_EFF
-from specific_analyses.relax_disp.variables import MODEL_B14, 
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, 
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, 
MODEL_MMQ_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_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, 
MODEL_TP02, MODEL_TSMFK01, PARAMS_R20
+from specific_analyses.relax_disp.variables import MODEL_B14, 
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, 
MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, 
MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MP05, 
MODEL_MMQ_CR72, 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_MMQ_2SITE, 
MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, 
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, 
MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20
 from status import Status; status = Status()
 
 
@@ -146,7 +146,7 @@
         """
 
         # Skip the 'R2eff' base model.
-        if model == 'R2eff':
+        if model == MODEL_R2EFF:
             return False
 
         # Do not use the analytic models.
@@ -387,7 +387,7 @@
         section(file=sys.stdout, text="Optimisation", prespace=2)
 
         # Deselect insignificant spins.
-        if model not in ['R2eff', 'No Rex']:
+        if model not in [MODEL_R2EFF, MODEL_NOREX]:
             
self.interpreter.relax_disp.insignificance(level=self.insignificance)
 
         # Speed-up grid-search by using minium R2eff value.
@@ -422,8 +422,8 @@
             self.interpreter.eliminate()
 
         # Monte Carlo simulations.
-        if self.mc_sim_all_models or len(self.models) < 2 or model == 
'R2eff':
-            if model == 'R2eff' and self.exp_mc_sim_num != None:
+        if self.mc_sim_all_models or len(self.models) < 2 or model == 
MODEL_R2EFF:
+            if model == MODEL_R2EFF and self.exp_mc_sim_num != None:
                 
self.interpreter.monte_carlo.setup(number=self.exp_mc_sim_num)
             else:
                 self.interpreter.monte_carlo.setup(number=self.mc_sim_num)
@@ -576,7 +576,7 @@
             models_tested = None
 
         # Exponential curves.
-        if model == 'R2eff' and has_exponential_exp_type():
+        if model == MODEL_R2EFF and has_exponential_exp_type():
             
self.interpreter.relax_disp.plot_exp_curves(file='intensities.agr', dir=path, 
force=True)    # Average peak intensities.
             
self.interpreter.relax_disp.plot_exp_curves(file='intensities_norm.agr', 
dir=path, force=True, norm=True)    # Average peak intensities (normalised).
 
@@ -589,12 +589,12 @@
             self.interpreter.value.write(param='model', file='model.out', 
dir=path, force=True)
 
         # The R2eff parameter.
-        if model == 'R2eff':
+        if model == MODEL_R2EFF:
             self.interpreter.value.write(param='r2eff', file='r2eff.out', 
dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='r2eff', file='r2eff.agr', dir=path, force=True)
 
         # The I0 parameter.
-        if model == 'R2eff' and has_exponential_exp_type():
+        if model == MODEL_R2EFF and has_exponential_exp_type():
             self.interpreter.value.write(param='i0', file='i0.out', 
dir=path, force=True)
             self.interpreter.grace.write(x_data_type='res_num', 
y_data_type='i0', file='i0.agr', dir=path, force=True)
 
@@ -671,7 +671,7 @@
         self.write_results_test(path=path, model=model, 
models_tested=models_tested, param='kC')
 
         # Minimisation statistics.
-        if not (model == 'R2eff' and has_fixed_time_exp_type()):
+        if not (model == MODEL_R2EFF and has_fixed_time_exp_type()):
             self.interpreter.value.write(param='chi2', file='chi2.out', 
dir=path, force=True)
             self.interpreter.grace.write(y_data_type='chi2', 
file='chi2.agr', dir=path, force=True)