URL:
<http://gna.org/bugs/?7875>
Summary: Script full_analysis.py shoots error when starting
monte carlo simulations for the final run
Project: relax
Submitted by: semor
Submitted on: Tuesday 11/28/2006 at 19:49
Category: relax's source code
Severity: 4 - Important
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: Repository: 1.2 line
Operating System: GNU/Linux
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Details:
At revision 2890...
Using the full_analysis.py script for the final optimization, I get the
following error :
========================================================
The model from the run 'local_tm' has been selected.
relax> monte_carlo.setup(run='final', number=200)
relax> monte_carlo.create_data(run='final', method='back_calc')
Traceback (most recent call last):
File "/home/semor/bin/relax", line 454, in ?
Relax()
File "/home/semor/bin/relax", line 166, in __init__
self.interpreter.run()
File "/2home/packages/relax/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/2home/packages/relax/prompt/interpreter.py", line 388, in
run_script
console.interact(intro, local, script_file, quit)
File "/2home/packages/relax/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "./full_analysis_SEMOR_FINAL_200_auto_check.py", line 566, in ?
Main(self.relax)
File "./full_analysis_SEMOR_FINAL_200_auto_check.py", line 296, in
__init__
monte_carlo.create_data('final')
File "/2home/packages/relax/prompt/monte_carlo.py", line 91, in
create_data
self.__relax__.generic.monte_carlo.create_data(run=run, method=method)
File "/2home/packages/relax/generic_fns/monte_carlo.py", line 78, in
create_data
data = create_mc_data(self.run, i)
File "/2home/packages/relax/specific_fns/model_free.py", line 640, in
create_mc_data
value = self.back_calc(run=run, index=i,
ri_label=self.relax.data.res[run][i].ri_labels[j],
frq_label=self.relax.data.res[run][i].frq_labels[self.relax.data.res[run][i].remap_table[j]],
frq=self.relax.data.res[run][i].frq[self.relax.data.res[run][i].remap_table[j]])
File "/2home/packages/relax/specific_fns/model_free.py", line 399, in
back_calc
value = self.minimise(run=self.run, min_algor='back_calc',
min_options=(index, ri_label, frq_label, frq))
File "/2home/packages/relax/specific_fns/model_free.py", line 2025, in
minimise
if not self.relax.data.res[self.run][i].model:
AttributeError: Element instance has no attribute 'model'
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<http://gna.org/bugs/?7875>
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