[Fwd: [bug #5977] Failures in diffusion tensor only Monte Carlo] -- May 22, 2006 - 20:39

> 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?

--- Begin Message ---

• To: Chris MacRaild <c.a.macraild@xxxxxxxxxxx>, Edward d Auvergne <edward@xxxxxxxxxxxxx>
• Date: Mon, 22 May 2006 19:33:34 +0200
• Message-id: <20060522-173334.sv4125.64990@gna.org>
• References: <20060522-161450.sv4125.92562@gna.org> <20060522-162900.sv4125.84193@gna.org>
• User-agent: Mozilla/5.0 (X11; U; Linux x86_64; chrome://navigator/locale/navigator.properties; rv:1.7.5) Gecko/20041107 Firefox/1.0

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/

--- End Message ---