Hi,
This is quite a bizarre bug if uncommenting those lines fixed the
problem. Would you have the printout of the 'traceback' error message
of the failure? Or did the script fail without printing a message?
Do you have more information about the point of failure?
These lines were commented out because they cause a fatal bug under
certain rare circumstances. But other code has developed in response
to this removal such that this test of spin system selection is not
necessary. This important function solely determines what type of
model-free analysis is being executed - local tm, diffusion tensor
optimisation, model-free optimisation for a single spin, or
optimisation of all parameters simultaneously. If uncommenting these
lines changes relax's behaviour, then the only reason is that not a
single residue is selected. Can you see this in any of your results
files? Or is there anything else suspicious with one of the results
files?
Regards,
Edward
On 10/25/07, Douglas Kojetin <douglas.kojetin@xxxxxxxxx> wrote:
Hi,
The following comment is present on line 1021 in the specifc_fns/
model-free.py file of the 1.2 svn version of relax:
1021 # This code causes a bug after model elimination if
the model has been eliminated (select = 0).
1022 #if not self.relax.data.res[self.run][i].select:
1023 # continue
The full_analysis.py script works find for the optimization of
local_tm, sphere, etc ... but, I am unable to run the 'final' run in
full_analysis.py unless I uncomment lines 1022-1023 in model-free.py.
I have to manually uncomment these lines to run the final analysis,
then comment out these lines again. Can the code in model-free.py be
modified to something like this:
if not self.relax.data.res[self.run][i].select and self.run == 'final':
continue
Or should one not need to uncomment lines 1022-1023?
Doug
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Re: bug comment in model-free.py