Author: bugman
Date: Thu Oct 23 15:32:59 2014
New Revision: 26388
URL: http://svn.gna.org/viewcvs/relax?rev=26388&view=rev
Log:
The data pipe containing a PCS subset is now optional in the frame order
auto-analysis.
This is for systems which have so little data that a subset makes no sense.
Modified:
branches/frame_order_cleanup/auto_analyses/frame_order.py
Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=26388&r1=26387&r2=26388&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py Thu Oct 23
15:32:59 2014
@@ -386,8 +386,8 @@
@param data_pipe_full: The name of the data pipe containing
all of the RDC and PCS data.
@type data_pipe_full: str
- @param data_pipe_subset: The name of the data pipe containing
all of the RDC data but only a small subset of ~5 PCS points.
- @type data_pipe_subset: str
+ @param data_pipe_subset: The name of the data pipe containing
all of the RDC data but only a small subset of ~5 PCS points. This optional
argument is used to massively speed up the analysis.
+ @type data_pipe_subset: str or None
@keyword pipe_bundle: The data pipe bundle to associate all
spawned data pipes with.
@type pipe_bundle: str
@keyword results_dir: The directory where files are saved in.
@@ -935,7 +935,10 @@
# Otherwise use the base data pipes.
else:
# Create the data pipe using the full data set, and switch to
it.
- self.interpreter.pipe.copy(self.data_pipe_subset,
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
+ if self.data_pipe_subset != None:
+ self.interpreter.pipe.copy(self.data_pipe_subset,
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
+ else:
+ self.interpreter.pipe.copy(self.data_pipe_full,
self.pipe_name_dict[model], bundle_to=self.pipe_bundle)
self.interpreter.pipe.switch(self.pipe_name_dict[model])
# Select the Frame Order model.
@@ -1023,16 +1026,18 @@
# Results directory stub for intermediate results.
intermediate_stub = self.results_dir + sep +
'intermediate_results' + sep + 'all_data'
- # Copy the PCS data.
- self.interpreter.pcs.copy(pipe_from=self.data_pipe_full,
pipe_to=self.pipe_name_dict[model])
-
- # Reset the selection status.
- for spin, spin_id in spin_loop(return_id=True, skip_desel=False):
- # Get the spin from the original pipe.
- spin_orig = return_spin(spin_id=spin_id,
pipe=self.data_pipe_full)
-
- # Reset the spin selection.
- spin.select = spin_orig.select
+ # Operations if a subset was used, otherwise these are not needed.
+ if self.data_pipe_subset != None:
+ # Copy the PCS data.
+ self.interpreter.pcs.copy(pipe_from=self.data_pipe_full,
pipe_to=self.pipe_name_dict[model])
+
+ # Reset the selection status.
+ for spin, spin_id in spin_loop(return_id=True,
skip_desel=False):
+ # Get the spin from the original pipe.
+ spin_orig = return_spin(spin_id=spin_id,
pipe=self.data_pipe_full)
+
+ # Reset the spin selection.
+ spin.select = spin_orig.select
# Optimisation using the full data set.
opt = self.opt_full
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