Re: [bug #17476] Missing data points triggers failure of R1 or R2.py script -- January 20, 2011 - 10:26

Hi Maddy,

Unfortunately I am unable to track down what the exact problem is in
this case.  It looks to be specific to the data loaded into relax, but
I cannot reproduce the bug myself to hunt it down.  Would you have a
set of test data that reproduces this?  I you would like the data kept
private, just randomise all of the data (multiply all by
random.gauss(1, 0.2) in Python, 2*RAND() in Excel, etc.).  If you
could attached to the bug report a set of randomised data files and a
script which triggers this bug on this data, it would be much
appreciated.

Cheers,

Edward



On 13 January 2011 13:21, anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> URL:
>  <http://gna.org/bugs/?17476>
>
>                 Summary: Missing data points triggers failure of R1 or R2.py
> script
>                 Project: relax
>            Submitted by: None
>            Submitted on: Thu 13 Jan 2011 12:20:59 PM UTC
>                Category: relax's source code
>                Severity: 3 - Normal
>                Priority: 5 - Normal
>                  Status: None
>                 Privacy: Public
>             Assigned to: None
>         Originator Name: Madeleine Strickland
>        Originator Email: M.Strickland@xxxxxxxxxxxxx
>             Open/Closed: Open
>         Discussion Lock: Any
>                 Release: 1.3.7
>        Operating System: GNU/Linux
>
>    _______________________________________________________
>
> Details:
>
> The scripts work fine for a full set of data points, but if you have a data
> point missing for a specific residue (for instance the longest time because
> the peak's disappeared), the script fails.
>
> > -----------------------------------------------------
> > relax> monte_carlo.setup(number=500)
> >
> > relax> monte_carlo.create_data(method='back_calc')
> > Traceback (most recent call last):
> > ?File "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/relax", line 348, in
> > <module>
> > ? ?Relax()
> > ?File "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/relax", line 115, in
> > __init__
> > ? ?self.interpreter.run(self.script_file)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
> > line 292, in run
> > ? ?return run_script(intro=self.__intro_string, local=locals(),
> > script_file=script_file, quit=self.__quit_flag,
> > show_script=self.__show_script,
> > raise_relax_error=self.__raise_relax_error)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
> > line 590, in run_script
> > ? ?return console.interact(intro, local, script_file, quit,
> > show_script=show_script, raise_relax_error=raise_relax_error)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
> > line 476, in interact_script
> > ? ?exec_script(script_file, local)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
> > line 370, in exec_script
> > ? ?runpy.run_module(module, globals)
> > ?File "/usr/local/lib/python2.6/runpy.py", line 140, in run_module
> > ? ?fname, loader, pkg_name)
> > ?File "/usr/local/lib/python2.6/runpy.py", line 34, in _run_code
> > ? ?exec code in run_globals
> > ?File
> "/home/ms4225/nmr_data/IGF2R/dynamics/relax/human/curve_fit/600/R2_curve_fit_height/R2_newnew.py",
> > line 118, in <module>
> > ? ?monte_carlo.create_data()
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/monte_carlo.py",
> > line 77, in create_data
> > ? ?monte_carlo.create_data(method=method)
> > ?File
> "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/generic_fns/monte_carlo.py",
> > line 70, in create_data
> > ? ?data = create_mc_data(data_index)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/specific_fns/relax_fit.py",
> > line 501, in create_mc_data
> > ? ?value = self._back_calc(spin=spin, relax_time_id=id)
> > ?File
> > "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/specific_fns/relax_fit.py",
> > line 193, in _back_calc
> > ? ?return results[keys.index(relax_time_id)]
> > ValueError: list.index(x): x not in list
> > -------------------------------------------------
>
>
>
>
>
>    _______________________________________________________
>
> Reply to this item at:
>
>  <http://gna.org/bugs/?17476>
>
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