Re: [Fwd: [bug #5977] Failures in diffusion tensor only Monte Carlo] -- May 24, 2006

On 5/23/06, Chris MacRaild <c.a.macraild@xxxxxxxxxxx> wrote:

>From what I can see, there seems to be some significant disagreement
within the relax code as to whether the self.relax.data.select_sim data
structure should be a simple list, or whether it should be a dictionary
indexed by run (where each value is a list).

I favour the dictionary, for two reasons:
1)it is more consistent with the form of other self.relax.data
attributes
2)it permits the user to have more than one run doing Monte Carlo sims
on a single instance (I can't easily imagine a circumstance where that
would be useful, but if flexibility is the goal... )

Either way it will only take a bit of work to make all the references
consistent.

Any thoughts?


You're right, it should be a dictionary.  Anywhere it is referenced as
a list is a bug.  Actually it should be a dictionary of lists.  The
key 'self.run' is used to select the run specific list of values (each
element of which corresponds to a different MC simulation).


---------- Forwarded message ----------
From: Chris MacRaild <NO-REPLY.INVALID-ADDRESS@xxxxxxx>
To: Chris MacRaild <c.a.macraild@xxxxxxxxxxx>, Edward d Auvergne 
<edward@xxxxxxxxxxxxx>
Date: Mon, 22 May 2006 19:33:34 +0200
Subject: [bug #5977] Failures in diffusion tensor only Monte Carlo

Update of bug #5977 (project relax):

                  Status:          Ready For Test => In Progress

    _______________________________________________________

Follow-up Comment #1:

The above fixes have been committed as revision 2503.

A further bug is revealed on  monte_carlo.error_analysis():

Traceback (most recent call last):
  File "/home/chris/relax_devel/1.2/relax", line 419, in ?
    Relax()
  File "/home/chris/relax_devel/1.2/relax", line 151, in __init__
    self.interpreter.run()
  File "/home/chris/relax_devel/1.2_5698_fix/prompt/interpreter.py", line
213, in run
  File "/home/chris/relax_devel/1.2_5698_fix/prompt/interpreter.py", line
385, in run_script
  File "/home/chris/relax_devel/1.2_5698_fix/prompt/interpreter.py", line
340, in interact_script
  File "relax_diff_mc.py", line 116, in ?
    monte_carlo.error_analysis(runName)
  File "/home/chris/relax_devel/1.2_5698_fix/prompt/monte_carlo.py", line
145, in error_analysis
  File "/home/chris/relax_devel/1.2/generic_fns/monte_carlo.py", line 150, in
error_analysis
    select_sim = return_selected_sim(self.run, instance)
  File "/home/chris/relax_devel/1.2/specific_fns/model_free.py", line 4456,
in sim_return_selected
    return self.relax.data.select_sim[self.run]
TypeError: list indices must be integers

Here, self.relax.data.select_sim is a list, whereas the code appears to
expect the more normal dictionary indexed by run

    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?func=detailitem&item_id=5977>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/


_______________________________________________
relax (http://nmr-relax.com)

This is the relax-devel mailing list
relax-devel@xxxxxxx

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel

Re: [Fwd: [bug #5977] Failures in diffusion tensor only Monte Carlo]

Header

Content

Related Messages