Author: bugman
Date: Wed Oct 22 14:26:17 2014
New Revision: 26345
URL: http://svn.gna.org/viewcvs/relax?rev=26345&view=rev
Log:
The verbosity argument for the N-state model optimisation is now propagated for
more printouts.
The argument for the calculate() and minimise() API methods is now sent into
specific_analyses.n_state_model.optimisation.target_fn_setup(), and from there
into the
pipe_control.pcs.return_pcs_data() and pipe_control.rdc.return_rdc_data()
functions. That way the
number of RDCs and PCSs used in the N-state model is reported back to the user
for better feedback.
Modified:
trunk/specific_analyses/n_state_model/api.py
trunk/specific_analyses/n_state_model/optimisation.py
Modified: trunk/specific_analyses/n_state_model/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/n_state_model/api.py?rev=26345&r1=26344&r2=26345&view=diff
==============================================================================
--- trunk/specific_analyses/n_state_model/api.py (original)
+++ trunk/specific_analyses/n_state_model/api.py Wed Oct 22 14:26:17 2014
@@ -151,7 +151,7 @@
# Set up the target function for direct calculation.
if scaling_matrix != None:
scaling_matrix = scaling_matrix[0]
- model, param_vector, data_types =
target_fn_setup(scaling_matrix=scaling_matrix)
+ model, param_vector, data_types =
target_fn_setup(scaling_matrix=scaling_matrix, verbosity=verbosity)
# Calculate the chi-squared value.
if model:
@@ -463,7 +463,7 @@
"""
# Set up the target function for direct calculation.
- model, param_vector, data_types = target_fn_setup(sim_index=sim_index,
scaling_matrix=scaling_matrix[0])
+ model, param_vector, data_types = target_fn_setup(sim_index=sim_index,
scaling_matrix=scaling_matrix[0], verbosity=verbosity)
# Nothing to do!
if not len(param_vector):
Modified: trunk/specific_analyses/n_state_model/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/n_state_model/optimisation.py?rev=26345&r1=26344&r2=26345&view=diff
==============================================================================
--- trunk/specific_analyses/n_state_model/optimisation.py (original)
+++ trunk/specific_analyses/n_state_model/optimisation.py Wed Oct 22
14:26:17 2014
@@ -269,13 +269,15 @@
return tensors
-def target_fn_setup(sim_index=None, scaling_matrix=None):
+def target_fn_setup(sim_index=None, scaling_matrix=None, verbosity=0):
"""Initialise the target function for optimisation or direct calculation.
@keyword sim_index: The index of the simulation to optimise. This
should be None if normal optimisation is desired.
@type sim_index: None or int
@keyword scaling_matrix: The diagonal and square scaling matrix.
@type scaling_matrix: numpy rank-2, float64 array or None
+ @keyword verbosity: A flag specifying the amount of information to
print. The higher the value, the greater the verbosity.
+ @type verbosity: int
"""
# Test if the N-state model has been set up.
@@ -321,12 +323,13 @@
# Get the data structures for optimisation using PCSs as base data sets.
pcs, pcs_err, pcs_weight, temp, frq, pcs_pseudo_flags = None, None, None,
None, None, None
if 'pcs' in data_types:
- pcs, pcs_err, pcs_weight, temp, frq, pcs_pseudo_flags =
return_pcs_data(sim_index=sim_index)
+ pcs, pcs_err, pcs_weight, temp, frq, pcs_pseudo_flags =
return_pcs_data(sim_index=sim_index, verbosity=verbosity)
# Get the data structures for optimisation using RDCs as base data sets.
rdcs, rdc_err, rdc_weight, rdc_vector, rdc_dj, absolute_rdc, T_flags,
j_couplings, rdc_pseudo_flags = None, None, None, None, None, None, None, None,
None
if 'rdc' in data_types:
- rdcs, rdc_err, rdc_weight, rdc_vector, rdc_dj, absolute_rdc, T_flags,
j_couplings, rdc_pseudo_flags = return_rdc_data(sim_index=sim_index)
+ # The data.
+ rdcs, rdc_err, rdc_weight, rdc_vector, rdc_dj, absolute_rdc, T_flags,
j_couplings, rdc_pseudo_flags = return_rdc_data(sim_index=sim_index,
verbosity=verbosity)
# Get the fixed tensors.
fixed_tensors = None
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