Re: [bug #13442] Monte Carlo problem with model-free.py and relax1.3.3 -- April 28, 2009 - 13:41

Ah, right, it fails with the data in the relax test suite already.
This should be easy to fix then.

Cheers,

Edward



On Tue, Apr 28, 2009 at 10:40 AM, anonymous
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> URL:
>  <http://gna.org/bugs/?13442>
>
>                 Summary: Monte Carlo problem with model-free.py and
> relax1.3.3
>                 Project: relax
>            Submitted by: None
>            Submitted on: Tuesday 04/28/2009 at 10:40 CEST
>                Category: relax's source code
>                Severity: 4 - Important
>                Priority: 5 - Normal
>                  Status: None
>                 Privacy: Public
>             Assigned to: None
>         Originator Name: Tamas Martinek
>        Originator Email: martinek@xxxxxxxxxxxxxxxxx
>             Open/Closed: Open
>         Discussion Lock: Any
>                 Release: 1.3.3
>        Operating System: GNU/Linux
>
>    _______________________________________________________
>
> Details:
>
> Relax-1.3.3 from source on a RH9. The sample script model-free.py (attached)
> runs nicely without monte carlo error estimaton. When the monte carlo step 
> is
> included, I get the following error:
>
> Traceback (most recent call last):
>  File "/usr/local/bin/relax", line 422, in ?
>    Relax()
>  File "/usr/local/bin/relax", line 131, in __init__
>    self.interpreter.run(self.script_file)
>  File "/usr/local/relax/prompt/interpreter.py", line 270, in run
>    return run_script(intro=self.__intro_string, local=self.local,
> script_file=script_file, quit=self.__quit_flag,
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/usr/local/relax/prompt/interpreter.py", line 531, in run_script
>    return console.interact(intro, local, script_file, quit,
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/usr/local/relax/prompt/interpreter.py", line 427, in
> interact_script
>    execfile(script_file, local)
>  File "model-free.py", line 78, in ?
>    monte_carlo.initial_values()
>  File "/usr/local/relax/prompt/monte_carlo.py", line 165, in initial_values
>    monte_carlo.initial_values()
>  File "/usr/local/relax/generic_fns/monte_carlo.py", line 269, in
> initial_values
>    init_sim_values()
>  File "/usr/local/relax/specific_fns/model_free/main.py", line 2938, in
> sim_init_values
>    object = getattr(cdp, object_name)
> AttributeError: 'PipeContainer' object has no attribute 'chi2'
>
> The chi2 is properly calculated during the first minimization before MC, and
> dumped in the results file. The error message is reproduced with the test
> data in the distribution(attached) too.
>
>
>
>
>    _______________________________________________________
>
> File Attachments:
>
>
> -------------------------------------------------------
> Date: Tuesday 04/28/2009 at 10:40 CEST  Name: model-free.py  Size: 3kB   By:
> None
>
> <http://gna.org/bugs/download.php?file_id=5721>
> -------------------------------------------------------
> Date: Tuesday 04/28/2009 at 10:40 CEST  Name: test.data.tgz  Size: 385B   
> By:
> None
>
> <http://gna.org/bugs/download.php?file_id=5722>
>
>    _______________________________________________________
>
> Reply to this item at:
>
>  <http://gna.org/bugs/?13442>
>
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