On Thu, 2006-12-21 at 21:31 +1100, Edward d'Auvergne wrote:
Chris,
I've downloaded the saved state and have noticed something strange -
there is no diffusion tensor data setup for models m6, m7, and m8?!?
Would you be able to attach the full script (or scripts) used to get
to this point? Was the model-free data read out of results files? I
have a feeling that this missing data is the issue and that something
prior to the eliminate() user function is causing the problem.
Indeed, I think this is the crux of the problem. The saved state is the
one triggered by the exception in debug mode. The scripts to get to this
point are just the sample scripts mf_multimodel.py and modsel.py, using
just 3 datasets and running over m0-m9. It has just occured to me as I
write this that the problem likely lies with the reading and/or writing
of results files - the diffusion tensor is set up in mf_multimodel.py
for all runs, but not passed to modsel.py.
I've now just checked and ofcourse the results file contains no
diffusion tensor for un-selected residues, so it can't be read for
models m6-m8. So there are two solutions I can see: either we write
everything to the results file even for un-selected residues, or we
detect this state when reading the data and raise an error. The first
option seems most graceful?
Chris
In the function 'self.determine_param_set_type()' of the file
'specific_fns/model_free.py', None is returned if no diffusion tensor
has been setup. I might change this to raise the RelaxNoTensorError
instead of returning None so that the error message is more
comprehensible than the RelaxFault.
Edward
On 12/20/06, Chris MacRaild <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/bugs/?8059>
Summary: RelaxFault in eliminate()
Project: relax
Submitted by: macraild
Submitted on: Tuesday 12/19/2006 at 14:43
Category: relax's source code
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: Other (missing version)
Operating System: None
_______________________________________________________
Details:
Traceback:
relax> eliminate(run=None, function=None, args=None)
relax> state.save(file='relax_state_20061912_143734', dir=None, force=0,
compress_type=1)
Opening the file 'relax_state_20061912_143734.bz2' for writing.
Traceback (most recent call last):
File "test_modsel.py", line 20, in ?
eliminate()
File "/home/chris/relax_devel/1.2/prompt/eliminate.py", line 97, in
eliminate
self.relax.generic.eliminate.eliminate(run=run, function=function,
args=args)
File "/home/chris/relax_devel/1.2/generic_fns/eliminate.py", line 56, in
eliminate
for i in xrange(num_instances(self.run)):
File "/home/chris/relax_devel/1.2/specific_fns/model_free.py", line
2605,
in num_instances
raise RelaxFault
RelaxFault: RelaxError: Impossible to be here, please re-run relax with
the
'--debug' flag and summit a bug report at https://gna.org/projects/relax/.
The problem appears to be trigered when eliminate() is called with one or
more models without any selected residues.
The saved state is attached.
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Tuesday 12/19/2006 at 14:43 Name: relax_state_20061912_143734.bz2
Size: 28kB By: macraild
<http://gna.org/bugs/download.php?file_id=1701>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?8059>
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Re: [bug #8059] RelaxFault in eliminate()