Author: tlinnet
Date: Tue Aug 19 17:14:05 2014
New Revision: 25082
URL: http://svn.gna.org/viewcvs/relax?rev=25082&view=rev
Log:
Implemented the function, which translates how parameters are copied from a
nested model in the auto_analyses for relax_disp.
This makes it possible to test the translating code, and makes logic clearer
in the auto_analyses.
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=25082&r1=25081&r2=25082&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py (original)
+++ trunk/auto_analyses/relax_disp.py Tue Aug 19 17:14:05 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
+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_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()
@@ -322,58 +322,28 @@
if analytic:
print("The parameters are copied from a %s model to a %s model."
% (comparable_model_info.eq, model_info.eq))
- # Loop over the parameters in comparable model.
- for param in comparable_model_info.params:
- # The R20 parameters.
- if param in PARAMS_R20:
- # If both models have same parameter.
- if param in model_info.params:
- print("Copying %s." % param)
- # Loop over the spins to copy the parameters.
- for spin, spin_id in spin_loop(return_id=True,
skip_desel=True):
- # Get the nested spin.
- nested_spin = return_spin(spin_id=spin_id,
pipe=nested_pipe)
- setattr(spin, param, deepcopy(getattr(nested_spin,
param)))
-
- # If copying from a simple model to a complex model
- elif param == 'r2' and 'r2a' in model_info.params and 'r2b'
in model_info.params:
- print("Copying %s, to r2a and r2b." % param)
- # Loop over the spins to copy the parameters.
- for spin, spin_id in spin_loop(return_id=True,
skip_desel=True):
- # Get the nested spin.
- nested_spin = return_spin(spin_id=spin_id,
pipe=nested_pipe)
- setattr(spin, 'r2a', deepcopy(getattr(nested_spin,
'r2')))
- setattr(spin, 'r2b', deepcopy(getattr(nested_spin,
'r2')))
-
- # If copying from a complex model to a lower complex model
- elif param == 'r2a' and 'r2' in model_info.params:
- print("Copying %s, to r2." % param)
- # Loop over the spins to copy the parameters.
- for spin, spin_id in spin_loop(return_id=True,
skip_desel=True):
- # Get the nested spin.
- nested_spin = return_spin(spin_id=spin_id,
pipe=nested_pipe)
- setattr(spin, 'r2', deepcopy(getattr(nested_spin,
'r2a')))
-
- # All other parameters.
- elif param in model_info.params:
- print("Copying %s." % param)
+ # Get the dictionary of how the model parameters of the current
model can be copied.
+ par_dic = nesting_param(model_params=model_info.params,
nested_model_params=comparable_model_info.params)
+
+ # Loop over the parameters in current model.
+ for param in model_info.params:
+ # Extract how parameter is translated.
+ param_conv = par_dic[param]
+
+ # If the param_conv is None, then continue.
+ if param_conv == None:
+ continue
+
+ else:
+ print("Copying parameter %s to %s." % (param, param_conv))
+
# Loop over the spins to copy the parameters.
for spin, spin_id in spin_loop(return_id=True,
skip_desel=True):
# Get the nested spin.
nested_spin = return_spin(spin_id=spin_id,
pipe=nested_pipe)
- setattr(spin, param, deepcopy(getattr(nested_spin,
param)))
-
- ## The LM63 3-site model parameters.
- if 'phi_ex' in comparable_model_info.params and 'kex' in
comparable_model_info.params and 'phi_ex_B' in model_info.params and
'phi_ex_C' in model_info.params and 'kB' in model_info.params and 'kC' in
model_info.params:
- print("Translating phi_ex_B=phi_ex, phi_ex_C=phi_ex, kB=kex and
kC=kex.")
- # Loop over the spins to copy the parameters.
- for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
- # Get the nested spin.
- nested_spin = return_spin(spin_id=spin_id, pipe=nested_pipe)
- setattr(spin, 'phi_ex_B', deepcopy(nested_spin.phi_ex))
- setattr(spin, 'phi_ex_C', deepcopy(nested_spin.phi_ex))
- setattr(spin, 'kB', deepcopy(nested_spin.kex))
- setattr(spin, 'kC', deepcopy(nested_spin.kex))
+
+ # Set the attribute.
+ setattr(spin, param, deepcopy(getattr(nested_spin,
param_conv)))
# Determine if model is equivalent, and should not be Grid searched,
or if nested, and some parameters are pre-set. Here Grid search should still
be issued.
return equivalent
r25082 - /trunk/auto_analyses/relax_disp.py