Author: bugman
Date: Sun Oct 12 12:38:48 2008
New Revision: 7639
URL: http://svn.gna.org/viewcvs/relax?rev=7639&view=rev
Log:
Converted the rest of the model selection to the model_loop() design.
The following model-free methods have been converted to using the
model_loop():
duplicate_data()
model_statistics()
skip_function()
Modified:
1.3/generic_fns/model_selection.py
1.3/specific_fns/model_free/main.py
Modified: 1.3/generic_fns/model_selection.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/model_selection.py?rev=7639&r1=7638&r2=7639&view=diff
==============================================================================
--- 1.3/generic_fns/model_selection.py (original)
+++ 1.3/generic_fns/model_selection.py Sun Oct 12 12:38:48 2008
@@ -210,11 +210,11 @@
switch(pipe)
# Skip function.
- if skip_function[pipe](instance=i):
+ if skip_function[pipe](model_info):
continue
# Get the model statistics.
- k, n, chi2 = model_statistics[pipe](instance=i,
min_instances=min_instances)
+ k, n, chi2 = model_statistics[pipe](model_info)
# Missing data sets.
if k == None or n == None or chi2 == None:
@@ -235,17 +235,11 @@
switch(pipe)
# Skip function.
- if skip_function[pipe](instance=i,
min_instances=min_instances, num_instances=num_instances[j]):
+ if skip_function[pipe](model_info):
continue
- # Global stats.
- if num_instances[j] > min_instances or num_instances[j] == 1:
- global_stats = 1
- else:
- global_stats = 0
-
# Get the model statistics.
- k, n, chi2 = model_statistics[pipe](instance=i,
global_stats=global_stats)
+ k, n, chi2 = model_statistics[pipe](model_info)
# Missing data sets.
if k == None or n == None or chi2 == None:
@@ -271,8 +265,7 @@
switch(best_model)
# Duplicate.
- duplicate_data[best_model](pipe_from=best_model,
pipe_to=modsel_pipe, model_index=i, global_stats=global_stats, verbose=False)
+ duplicate_data[best_model](pipe_from=best_model,
pipe_to=modsel_pipe, model_info=model_info, verbose=False)
# Switch to the model selection pipe.
switch(modsel_pipe)
-
Modified: 1.3/specific_fns/model_free/main.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=7639&r1=7638&r2=7639&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Sun Oct 12 12:38:48 2008
@@ -879,7 +879,7 @@
def deselect(self, model_index, sim_index=None):
"""Deselect models or simulations.
- @keyword model_index: The model index. This is zero for the
global models or equal to the
+ @param model_index: The model index. This is zero for the
global models or equal to the
global spin index (which covers the
molecule, residue, and spin
indices).
@type model_index: int
@@ -991,16 +991,17 @@
return 'all'
- def duplicate_data(self, pipe_from=None, pipe_to=None, model_index=None,
global_stats=False, verbose=True):
+ def duplicate_data(self, pipe_from=None, pipe_to=None, model_info=None,
global_stats=False, verbose=True):
"""Duplicate the data specific to a single model-free model.
@keyword pipe_from: The data pipe to copy the data from.
@type pipe_from: str
@keyword pipe_to: The data pipe to copy the data to.
@type pipe_to: str
- @keyword model_index: The index of the model to determine which
spin system to duplicate
- data from.
- @type model_index: int
+ @param model_info: The model index. This is zero for the
global models or equal to the
+ global spin index (which covers the
molecule, residue, and spin
+ indices). This originates from the
model_loop().
+ @type model_info: int
@keyword global_stats: The global statistics flag
@type global_stats: bool
@keyword verbose: A flag which if True will cause info about
each spin to be printed
@@ -1009,8 +1010,8 @@
"""
# Arg tests.
- if model_index == None:
- raise RelaxError, "The model_index argument cannot be None."
+ if model_info == None:
+ raise RelaxError, "The model_info argument cannot be None."
# First create the pipe_to data pipe, if it doesn't exist, but don't
switch to it.
if not pipes.has_pipe(pipe_to):
@@ -1125,7 +1126,7 @@
# Sequence specific data.
if model_type == 'mf' or (model_type == 'local_tm' and not
global_stats):
# Get the spin container indices.
- mol_index, res_index, spin_index =
convert_from_global_index(global_index=model_index, pipe=pipe_from)
+ mol_index, res_index, spin_index =
convert_from_global_index(global_index=model_info, pipe=pipe_from)
# Duplicate the spin specific data.
dp_to.mol[mol_index].res[res_index].spin[spin_index] =
deepcopy(dp_from.mol[mol_index].res[res_index].spin[spin_index])
@@ -1785,7 +1786,7 @@
spin.params = params
- def model_statistics(self, instance=None, spin_id=None,
global_stats=None):
+ def model_statistics(self, model_info=None, spin_id=None,
global_stats=None):
"""Return the k, n, and chi2 model statistics.
k - number of parameters.
@@ -1793,9 +1794,10 @@
chi2 - the chi-squared value.
- @keyword instance: This is the optimisation instance index.
Either this or the spin_id
- keyword argument must be supplied.
- @type instance: None or int
+ @keyword model_index: The model index. This is zero for the
global models or equal to the
+ global spin index (which covers the
molecule, residue, and spin
+ indices). This originates from the
model_loop().
+ @type model_index: int
@keyword spin_id: The spin identification string. Either this
or the instance keyword
argument must be supplied.
@type spin_id: None or str
@@ -1810,10 +1812,10 @@
"""
# Bad argument combination.
- if instance == None and spin_id == None:
- raise RelaxError, "Either the instance or spin_id argument must
be supplied."
- elif instance != None and spin_id != None:
- raise RelaxError, "The instance arg " + `instance` + " and
spin_id arg " + `spin_id` + " clash. Only one should be supplied."
+ if model_info == None and spin_id == None:
+ raise RelaxError, "Either the model_info or spin_id argument
must be supplied."
+ elif model_info != None and spin_id != None:
+ raise RelaxError, "The model_info arg " + `model_info` + " and
spin_id arg " + `spin_id` + " clash. Only one should be supplied."
# Get the current data pipe.
cdp = pipes.get_pipe()
@@ -1835,7 +1837,7 @@
if spin_id:
spin = return_spin(spin_id)
else:
- spin = return_spin_from_index(instance)
+ spin = return_spin_from_index(model_info)
# Skip deselected residues.
if not spin.select:
@@ -3169,27 +3171,20 @@
return spin.select_sim
- def skip_function(self, instance=None, min_instances=None,
num_instances=None):
+ def skip_function(self, model_index):
"""Skip certain data.
- @keyword instance: The index of the minimisation instance.
- @type instance: int
- @keyword min_instances: The total number of minimisation instances.
- @type min_instances: int
- @keyword num_instances: The total number of instances.
- @type num_instances: int
+ @param model_index: The model index. This is zero for the
global models or equal to the
+ global spin index (which covers the
molecule, residue, and spin
+ indices). This originates from the
model_loop().
+ @type model_index: int
"""
# Determine the model type.
model_type = self.determine_model_type()
- # All spins.
- combine = False
- if min_instances == 1 and min_instances != num_instances:
- combine = True
-
# Sequence specific data.
- if (model_type == 'mf' or model_type == 'local_tm') and not combine
and not return_spin_from_index(instance).select:
+ if (model_type == 'mf' or model_type == 'local_tm') and not
return_spin_from_index(model_index).select:
return True
# Don't skip.
r7639 - in /1.3: generic_fns/model_selection.py specific_fns/model_free/main.py