Author: tlinnet
Date: Tue Aug 19 13:32:00 2014
New Revision: 25072
URL: http://svn.gna.org/viewcvs/relax?rev=25072&view=rev
Log:
Modified nesting function, to pull list of possible models from dictionary,
and check if these models are
available in the completed models.
Modified:
trunk/specific_analyses/relax_disp/model.py
Modified: trunk/specific_analyses/relax_disp/model.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/model.py?rev=25072&r1=25071&r2=25072&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/model.py (original)
+++ trunk/specific_analyses/relax_disp/model.py Tue Aug 19 13:32:00 2014
@@ -74,7 +74,13 @@
# Ordered lists of models to nest from.
model_NEST = MODEL_NEST[self.model]
- self.nest_list = model_NEST
+
+ # Remove the model itself from the list.
+ if model_NEST == None:
+ self.nest_list = model_NEST
+ else:
+ model_NEST = filter(partial(ne, self.model), model_NEST)
+ self.nest_list = model_NEST
# Define the order of how exp type ranks.
order_exp_type = [EXP_TYPE_R2EFF, EXP_TYPE_NOREX,
EXP_TYPE_NOREX_R1RHO, EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_MMQ, EXP_TYPE_R1RHO]
@@ -152,125 +158,21 @@
# Sort the models according to: exp_type, equation type, chemical sites,
year for model, number of parameters.
completed_models_info = sorted(completed_models_info,
key=attrgetter('exp_type_i', 'eq_i', 'sites', 'year_diff', 'params_nr'))
- # Define list of comparable models
- compa_models = []
-
- # Loop over the list of model info.
- for compl_model_info in completed_models_info:
- # If the exp_type is the same, add to list of comparable models.
- if compl_model_info.exp_type == model_info.exp_type:
- compa_models.append(compl_model_info)
-
- # Now determine how to report the nested models, if there exist
comparable models.
- if len(compa_models) >= 1:
- # Loop over the list of comparable models, if the parameters are the
same, return that as nested model.
- for compa_model in compa_models:
- if compa_model.params == model_info.params:
- return model_info, compa_model
-
- # Loop over the list of comparable models, if the parameters (other
than R20 params) are the same, return that as nested model.
- for compa_model in compa_models:
- # Remove R20 params.
- part_compa_model_params = compa_model.params
- part_model_params = model_info.params
- for r20 in PARAMS_R20:
- part_compa_model_params = filter(partial(ne, r20),
part_compa_model_params)
- part_model_params = filter(partial(ne, r20),
part_model_params)
-
- # If the partial params are the same, then return that model.
- if part_compa_model_params == part_model_params:
- return model_info, compa_model
-
- # Loop over the list of comparable models, if the parameters are
part of the more complex model, return that as nested model.
- for compa_model in compa_models:
- # If the params list are within the parameter list, then return
that model.
- param_in = False
-
- # Loop over the parameters.
- for param in compa_model.params:
- if param in model_info.params:
- param_in = True
-
- # Special situation, where 'kex' can still be nested from
DPL94 model.
- elif param == 'phi_ex' and compa_model.model in
MODEL_LIST_R1RHO_W_R1_ONLY + MODEL_LIST_R1RHO_FIT_R1_ONLY and model in
MODEL_LIST_R1RHO_W_R1_ONLY + MODEL_LIST_R1RHO_FIT_R1_ONLY:
- continue
-
- # Special situation, where 'kex' can still be nested from
LM63 model.
- elif param == 'phi_ex' and compa_model.model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG and model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG:
- continue
-
- # Special situation, where 'kex'=1/tex can still be nested
from IT99 model.
- elif param == 'tex' and compa_model.model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG and model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG:
- continue
-
- # Else break out of the loop.
- else:
- # Break the for loop, if not found.
- param_in = False
- break
-
- # If all parameters are found in the more complex model.
- if param_in:
- return model_info, compa_model
-
- # Special case for LM63
- if model == MODEL_LM63_3SITE:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is MODEL_LM63, return this.
- if compa_model.model == MODEL_LM63:
- return model_info, compa_model
-
- # Special case for MODEL_NS_MMQ_3SITE or MODEL_NS_MMQ_3SITE_LINEAR,
getting parameters from MODEL_NS_MMQ_2SITE.
- elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is MODEL_NS_MMQ_2SITE,
return this.
- if compa_model.model == MODEL_NS_MMQ_2SITE:
- return model_info, compa_model
-
- # Special case for MODEL_NS_R1RHO_3SITE or
MODEL_NS_R1RHO_3SITE_LINEAR, getting parameters from MODEL_NS_R1RHO_2SITE.
- elif model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is MODEL_NS_MMQ_2SITE,
return this.
- if compa_model.model == MODEL_NS_R1RHO_2SITE:
- return model_info, compa_model
-
- # Special case for DPL94.
- elif model in [MODEL_DPL94, MODEL_DPL94_FIT_R1]:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is in list with R1rho R1,
return this.
- if compa_model.model in MODEL_LIST_R1RHO_W_R1_ONLY +
MODEL_LIST_R1RHO_FIT_R1_ONLY:
- return model_info, compa_model
-
- # Special case for IT99.
- elif model in [MODEL_IT99]:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is in list with R1rho R1,
return this.
- if compa_model.model in MODEL_LIST_ANALYTIC_CPMG +
MODEL_LIST_NUMERIC_CPMG:
- return model_info, compa_model
-
- # If all fails.
+ # If no nest model list is specified, return None.
+ if model_info.nest_list == None:
return model_info, None
- # If there is no comparable models according to EXP_TYPE, check if some
models can be nested anyway.
else:
- # Define list of comparable models, to be all completed models.
- compa_models = completed_models_info
-
- # Special case for MODEL_MMQ_CR72.
- if model == MODEL_MMQ_CR72:
- # Loop over the models.
- for compa_model in compa_models:
- # If one of the comparable models is MODEL_CR72, return this.
- if compa_model.model == MODEL_CR72:
- return model_info, compa_model
-
- else:
- return model_info, None
+ # Loop over ordered list of possible nested models.
+ for nest_model in model_info.nest_list:
+ # Then loop over list of completed models, and its associated
information.
+ for completed_model_info in completed_models_info:
+ # If the nested model is in list of completed models, then
return that model.
+ if nest_model == completed_model_info.model:
+ return model_info, completed_model_info
+
+ # If nothing is found, return None.
+ return model_info, None
# Define function, to sort models.
r25072 - /trunk/specific_analyses/relax_disp/model.py