Author: bugman
Date: Fri Jun 8 15:53:48 2012
New Revision: 16774
URL: http://svn.gna.org/viewcvs/relax?rev=16774&view=rev
Log:
The dauvergne_protocol auto-analysis now adds the pipe bundle name to all
created pipes as a suffix.
This is to uniquely identify the data pipes, and to allow more than one
model-free analysis to be
executed per relax instance (useful for the GUI).
Modified:
branches/uf_redesign/auto_analyses/dauvergne_protocol.py
Modified: branches/uf_redesign/auto_analyses/dauvergne_protocol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/auto_analyses/dauvergne_protocol.py?rev=16774&r1=16773&r2=16774&view=diff
==============================================================================
--- branches/uf_redesign/auto_analyses/dauvergne_protocol.py (original)
+++ branches/uf_redesign/auto_analyses/dauvergne_protocol.py Fri Jun 8
15:53:48 2012
@@ -544,7 +544,7 @@
self.multi_model(local_tm=True)
# Model selection.
- self.model_selection(modsel_pipe='aic', dir=self.base_dir +
'aic')
+ self.model_selection(modsel_pipe=self.name_pipe('aic'),
dir=self.base_dir + 'aic')
# Diffusion models MII to MV.
@@ -572,7 +572,7 @@
self.base_dir =
self.results_dir+self.diff_model+sep+'init'+sep
# Run name.
- name = self.diff_model
+ name = self.name_pipe(self.diff_model)
# Create the data pipe (deleting the old one if it
exists).
if has_pipe(name):
@@ -620,7 +620,7 @@
self.multi_model()
# Model selection.
- self.model_selection(modsel_pipe='aic',
dir=self.base_dir + 'aic')
+ self.model_selection(modsel_pipe=self.name_pipe('aic'),
dir=self.base_dir + 'aic')
# Final optimisation of all diffusion and model-free
parameters.
self.interpreter.fix('all', fixed=False)
@@ -665,7 +665,7 @@
raise RelaxError("The %s model must be optimised first."
% name)
# Create the local_tm data pipe.
- self.interpreter.pipe.create('local_tm', 'mf',
bundle=self.pipe_bundle)
+ self.interpreter.pipe.create(self.name_pipe('local_tm'), 'mf',
bundle=self.pipe_bundle)
# Load the local tm diffusion model MI results.
self.interpreter.results.read(file='results',
dir=self.results_dir+'local_tm'+sep+'aic')
@@ -686,13 +686,13 @@
raise RelaxError("Multiple rounds of optimisation of the
" + name + " (between 8 to 15) are required for the proper execution of this
script.")
# Create the data pipe.
- self.interpreter.pipe.create(model, 'mf',
bundle=self.pipe_bundle)
+ self.interpreter.pipe.create(self.name_pipe(model), 'mf',
bundle=self.pipe_bundle)
# Load the diffusion model results.
self.interpreter.results.read(file='results',
dir=self.results_dir+model + sep+'round_'+repr(self.round)+sep+'opt')
# Model selection between MI to MV.
- self.model_selection(modsel_pipe='final', write_flag=False)
+ self.model_selection(modsel_pipe=self.name_pipe('final'),
write_flag=False)
# Monte Carlo simulations.
@@ -729,9 +729,9 @@
"""Function for loading the optimised diffusion tensor."""
# Create the data pipe for the previous data (deleting the old data
pipe first if necessary).
- if has_pipe('previous'):
- self.interpreter.pipe.delete('previous')
- self.interpreter.pipe.create('previous', 'mf',
bundle=self.pipe_bundle)
+ if has_pipe(self.name_pipe('previous')):
+ self.interpreter.pipe.delete(self.name_pipe('previous'))
+ self.interpreter.pipe.create(self.name_pipe('previous'), 'mf',
bundle=self.pipe_bundle)
# Load the optimised diffusion tensor from the initial round.
if self.round == 1:
@@ -760,20 +760,24 @@
# Set the data pipe names (also the names of preset model-free
models).
if local_tm:
+ models = self.local_tm_models
self.pipes = self.local_tm_models
else:
- self.pipes = self.mf_models
+ models = self.mf_models
+ self.pipes = []
+ for i in range(len(models)):
+ self.pipes.append(self.name_pipe(models[i]))
# Loop over the data pipes.
- for name in self.pipes:
+ for i in range(len(models)):
# Place the model name into the status container.
- status.auto_analysis[self.pipe_bundle].current_model = name
+ status.auto_analysis[self.pipe_bundle].current_model = models[i]
# Create the data pipe (by copying).
- if has_pipe(name):
- self.interpreter.pipe.delete(name)
- self.interpreter.pipe.copy(self.pipe_name, name,
bundle_to=self.pipe_bundle)
- self.interpreter.pipe.switch(name)
+ if has_pipe(self.pipes[i]):
+ self.interpreter.pipe.delete(self.pipes[i])
+ self.interpreter.pipe.copy(self.pipe_name, self.pipes[i],
bundle_to=self.pipe_bundle)
+ self.interpreter.pipe.switch(self.pipes[i])
# Copy the diffusion tensor from the 'opt' data pipe and prevent
it from being minimised.
if not local_tm:
@@ -781,7 +785,7 @@
self.interpreter.fix('diff')
# Select the model-free model.
- self.interpreter.model_free.select_model(model=name)
+ self.interpreter.model_free.select_model(model=models[i])
# Minimise.
self.interpreter.grid_search(inc=self.grid_inc)
@@ -791,11 +795,25 @@
self.interpreter.eliminate()
# Write the results.
- dir = self.base_dir + name
+ dir = self.base_dir + models[i]
self.interpreter.results.write(file='results', dir=dir,
force=True)
# Unset the status.
status.auto_analysis[self.pipe_bundle].current_model = None
+
+
+ def name_pipe(self, prefix):
+ """Generate a unique name for the data pipe.
+
+ @param prefix: The prefix of the data pipe name.
+ @type prefix: str
+ """
+
+ # The unique pipe name.
+ name = "%s - %s" % (prefix, self.pipe_bundle)
+
+ # Return the name.
+ return name
def status_setup(self):
r16774 - /branches/uf_redesign/auto_analyses/dauvergne_protocol.py