Hi,
I now have the failure when running:
$ ./relax -s Relax_disp.test_hansen_cpmg_data_auto_analysis
This is because the change is incorrect. The model_statistics()
method is called once for each individual model - for each iteration
of the model_loop(), which for the dispersion analysis is each spin
cluster (or individual spins). The logic:
spins_list = []
for spin_id in self.model_loop():
spins_list.append(spin_id[0])
spins = spin_ids_to_containers(spins_list)
is incorrect as the model_loop() loops over all spin clusters.
Therefore the 'spins' object will now be a list of the first spin
system from all clusters. Previously it was simply a list of all the
spins for the current spin cluster. I hope this makes sense.
Regards,
Edward
On 5 May 2014 16:52, Troels Emtekær Linnet <[email protected]> wrote:
> Now ready to be tested with:
>
> relax -s Relax_disp.test_hansen_cpmg_data_auto_analysis -d
>
>
> ---------- Forwarded message ----------
> From: <[email protected]>
> Date: 2014-05-05 16:46 GMT+02:00
> Subject: r22958 - /trunk/specific_analyses/relax_disp/api.py
> To: [email protected]
>
>
> Author: tlinnet
> Date: Mon May 5 16:46:10 2014
> New Revision: 22958
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22958&view=rev
> Log:
> Inserted commit r22954 to fix the AIC method selection.
>
> The command used was:
> svn merge -r22953:r22954 .
>
> .....
> Attempt to fix function model_statistics() in API for relax_disp.
>
> bug #22012(https://gna.org/bugs/?22012): dx.map not implemented
> for pipe type relax_disp.
>
> Modified:
> trunk/specific_analyses/relax_disp/api.py
> .....
>
>
> Modified:
> trunk/specific_analyses/relax_disp/api.py
>
> Modified: trunk/specific_analyses/relax_disp/api.py
> URL:
> http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=22958&r1=22957&r2=22958&view=diff
> ==============================================================================
> --- trunk/specific_analyses/relax_disp/api.py (original)
> +++ trunk/specific_analyses/relax_disp/api.py Mon May 5 16:46:10 2014
> @@ -678,9 +678,21 @@
> @rtype: tuple of (int, int, float)
> """
>
> + # Bad argument combination.
> + if model_info == None and spin_id == None:
> + raise RelaxError("Either the model_info or spin_id
> argument must be supplied.")
> + elif model_info != None and spin_id != None:
> + raise RelaxError("The model_info arg " + repr(model_info)
> + " and spin_id arg " + repr(spin_id) + " clash. Only one should be
> supplied.")
> +
> # Unpack the data.
> spin_ids = model_info
> - spins = spin_ids_to_containers(spin_ids)
> + #spins = spin_ids_to_containers(spin_ids)
> +
> + spins_list = []
> + for spin_id in self.model_loop():
> + spins_list.append(spin_id[0])
> +
> + spins = spin_ids_to_containers(spins_list)
>
> # The number of parameters for the cluster.
> k = param_num(spins=spins)
>
>
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