Author: tlinnet
Date: Wed Aug 20 16:01:43 2014
New Revision: 25098
URL: http://svn.gna.org/viewcvs/relax?rev=25098&view=rev
Log:
Inserted into relax_disp auto_analyses, to convert the input models.
This will convert/insert the correct 'No Rex' to the corresponding 'No
Rex' model for R1rho off-resonance models.
It will also translate to the corresponding 'R1 fit' model, if no 'R1
data' has been loaded with relax_data.read() function.
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=25098&r1=25097&r2=25098&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py (original)
+++ trunk/auto_analyses/relax_disp.py Wed Aug 20 16:01:43 2014
@@ -39,7 +39,7 @@
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.model import nesting_model,
nesting_param
+from specific_analyses.relax_disp.model import convert_no_rex_fit_r1,
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_FIT_R1, MODEL_LIST_R1RHO_W_R1,
MODEL_LIST_R1RHO_FULL, MODEL_NOREX, MODEL_NOREX_R1RHO,
MODEL_NOREX_R1RHO_FIT_R1, MODEL_PARAMS, MODEL_R2EFF, PARAMS_R20
from status import Status; status = Status()
@@ -100,7 +100,6 @@
self.pipe_name = pipe_name
self.pipe_bundle = pipe_bundle
self.results_dir = results_dir
- self.models = models
self.grid_inc = grid_inc
self.mc_sim_num = mc_sim_num
self.exp_mc_sim_num = exp_mc_sim_num
@@ -112,6 +111,35 @@
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,
r1ho_translated = convert_no_rex_fit_r1(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)
+ print("\nThe 'No Rex' model for R1rho off-resonance
models has been translated to the model:
'%s'."%(converted_models[no_rex_index]))
+ if no_rex_inserted:
+ no_rex_index = models.index(MODEL_NOREX) + 1
+ print("\nThe 'No Rex' model for R1rho off-resonance
models has been inserted as model: '%s'."%(converted_models[no_rex_index]))
+ if r1ho_translated:
+ print("\nIMPORTANT: R1 data is missing for this
data-pipe.")
+ print("Therefore all of the R1rho off-resonance model has
been translated into the corresponding models where R1 is fitted.")
+ print("If the R1 parameter should not fitted, consult the
help pages: help(relax_data.read), to read how to load 'R1 data' before
analysis.")
+
+ 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:
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