Re: r22958 - /trunk/specific_analyses/relax_disp/api.py -- May 05, 2014

Ehhhh.

Can you suggest a change?

Best
Troels

2014-05-05 17:05 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

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 <tlinnet@xxxxxxxxxxxxx> wrote:

Now ready to be tested with:

relax -s Relax_disp.test_hansen_cpmg_data_auto_analysis -d


---------- Forwarded message ----------
From:  <tlinnet@xxxxxxxxxxxxx>
Date: 2014-05-05 16:46 GMT+02:00
Subject: r22958 - /trunk/specific_analyses/relax_disp/api.py
To: relax-commits@xxxxxxx


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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Re: r22958 - /trunk/specific_analyses/relax_disp/api.py

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