Author: bugman
Date: Thu Aug 21 14:52:22 2014
New Revision: 25164
URL: http://svn.gna.org/viewcvs/relax?rev=25164&view=rev
Log:
Updated the dispersion auto-analysis for the universal 'No Rex' model.
The 'No Rex R1rho off res' references have all been deleted. The model
conversion logic is also no
longer needed and has been deleted.
Modified:
trunk/auto_analyses/relax_disp.py
Modified: trunk/auto_analyses/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=25164&r1=25163&r2=25164&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py (original)
+++ trunk/auto_analyses/relax_disp.py Thu Aug 21 14:52:22 2014
@@ -39,8 +39,8 @@
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,
is_r1_optimised, 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.model import convert_no_rex, nesting_model,
nesting_param
-from specific_analyses.relax_disp.variables import EQ_ANALYTIC, EQ_NUMERIC,
EQ_SILICO, MODEL_LIST_ANALYTIC, MODEL_LIST_NEST, MODEL_LIST_NUMERIC,
MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, MODEL_NOREX, MODEL_NOREX_R1RHO,
MODEL_PARAMS, MODEL_R2EFF, PARAMS_R20
+from specific_analyses.relax_disp.model import nesting_model, nesting_param
+from specific_analyses.relax_disp.variables import EQ_ANALYTIC, EQ_NUMERIC,
EQ_SILICO, MODEL_LIST_ANALYTIC, MODEL_LIST_NEST, MODEL_LIST_NUMERIC,
MODEL_LIST_R1RHO, MODEL_LIST_R1RHO_FULL, MODEL_NOREX, MODEL_PARAMS,
MODEL_R2EFF, PARAMS_R20
from status import Status; status = Status()
@@ -103,6 +103,7 @@
self.grid_inc = grid_inc
self.mc_sim_num = mc_sim_num
self.exp_mc_sim_num = exp_mc_sim_num
+ self.models = models
self.modsel = modsel
self.pre_run_dir = pre_run_dir
self.optimise_r2eff = optimise_r2eff
@@ -111,33 +112,6 @@
self.numeric_only = numeric_only
self.mc_sim_all_models = mc_sim_all_models
self.eliminate = eliminate
-
- # Possible convert the models for analyses.
- # Determine if any model in the list of all models should be replaced
or inserted as the correct 'No Rex' model.
- # Also translate the R1rho off-resonance model to the corresponding
'R1 fit' models, if R1 is not loaded.
- converted_models, no_rex_translated, no_rex_inserted =
convert_no_rex(self_models=deepcopy(models))
-
- if converted_models != models:
- # Printout.
- section(file=sys.stdout, text="Converting models.", prespace=2)
-
- # If 'No Rex' model was translated.
- if no_rex_translated:
- no_rex_index = models.index(MODEL_NOREX)
- text = "\nThe 'No Rex' model for R1rho off-resonance models
has been translated to the model: '%s'."%(converted_models[no_rex_index])
- print(text)
- if no_rex_inserted:
- no_rex_index = models.index(MODEL_NOREX) + 1
- text = "\nThe 'No Rex' model for R1rho off-resonance models
has been inserted as model: '%s'."%(converted_models[no_rex_index])
- print(text)
-
- print("\nPrevious list of models: %s" % (models))
- print("\nNew list of models: %s" % (converted_models))
-
- # Store the new order of models.
- self.models = converted_models
- else:
- self.models = models
# No results directory, so default to the current directory.
if not self.results_dir:
@@ -398,7 +372,7 @@
section(file=sys.stdout, text="Optimisation", prespace=2)
# Deselect insignificant spins.
- if model not in [MODEL_R2EFF, MODEL_NOREX, MODEL_NOREX_R1RHO]:
+ 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.
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