URL:
<http://gna.org/bugs/?8996>
Summary: Bugs in palmer.py
Project: relax
Submitted by: None
Submitted on: Wednesday 04/25/2007 at 12:32 CEST
Category: relax's source code
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: Carl Diehl
Originator Email: carl.diehl@xxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 1.2.10
Operating System: GNU/Linux
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Details:
The following bug were encountered while running the palmer.py script with
stage=2, stage=1 worked fine with the original data.
relax> run.create(run='aic', run_type='mf')
relax> model_selection(method='AIC', modsel_run='aic', runs=None)
AIC model selection.
Instance 0.
Run Num_params_(k) Num_data_sets_(n) Chi2
Criterion
The model from the run None has been selected.
Instance 1.
Run Num_params_(k) Num_data_sets_(n) Chi2
Criterion
m1 1 6 4.17590
6.17590
m2 2 6 3.77440
7.77440
m3 2 6 4.17590
8.17590
m4 3 6 3.77440
9.77440
m5 3 6 6.09960
12.09960
The model from the run 'm1' has been selected.
relax> results.write(run='aic', file='results', dir='aic', force=1,
format='columnar', compress_type=1)
Opening the file 'aic/results.bz2' for writing.
Traceback (most recent call last):
File "/home/matsl/carl/apps/relax-1.2.10/relax", line 454, in ?
Relax()
File "/home/matsl/carl/apps/relax-1.2.10/relax", line 166, in __init__
self.interpreter.run()
File "/home/matsl/carl/apps/relax-1.2.10/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 "/home/matsl/carl/apps/relax-1.2.10/prompt/interpreter.py", line 388,
in run_script
console.interact(intro, local, script_file, quit)
File "/home/matsl/carl/apps/relax-1.2.10/prompt/interpreter.py", line 340,
in interact_script
execfile(script_file, local)
File "palmer.py", line 132, in ?
exec_stage_2(runs)
File "palmer.py", line 85, in exec_stage_2
results.write(run=name, file='results', force=1)
File "/home/matsl/carl/apps/relax-1.2.10/prompt/results.py", line 201, in
write
self.__relax__.generic.results.write(run=run, file=file, directory=dir,
force=force, format=format, compress_type=compress_type)
File "/home/matsl/carl/apps/relax-1.2.10/generic_fns/results.py", line 166,
in write
self.write_function(results_file, run)
File "/home/matsl/carl/apps/relax-1.2.10/specific_fns/model_free.py", line
4980, in write_columnar_results
self.write_columnar_line(file=file, num=data.num, name=data.name,
select=data.select, data_set='error', nucleus=nucleus, model=model,
equation=equation, params=params, param_set=self.param_set, s2=s2, s2f=s2f,
s2s=s2s, local_tm=local_tm, te=te, tf=tf, ts=ts, rex=rex, r=r, csa=csa,
diff_type=diff_type, diff_params=diff_params, pdb=pdb, pdb_model=pdb_model,
pdb_heteronuc=data.heteronuc, pdb_proton=data.proton, xh_vect=xh_vect,
ri_labels=ri_labels, remap_table=remap_table, frq_labels=frq_labels, frq=frq,
ri=ri, ri_error=ri_error)
AttributeError: Element instance has no attribute 'heteronuc'
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Wednesday 04/25/2007 at 12:32 CEST Name: palmer.py Size: 4kB By:
None
<http://gna.org/bugs/download.php?file_id=2268>
-------------------------------------------------------
Date: Wednesday 04/25/2007 at 12:32 CEST Name: stage1.save.bz2 Size: 3kB
By: None
<http://gna.org/bugs/download.php?file_id=2269>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?8996>
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[bug #8996] Bugs in palmer.py