Hi Edward.
The error comes from AIC selection.
model_selection(method='AIC', modsel_pipe='final - relax_disp',
bundle='relax_disp', pipes=['No Rex - relax_disp', 'LM63 -
relax_disp', 'CR72 - relax_disp', 'IT99 - relax_disp'])
AIC model selection.
The spin cluster [':4@N'].
debug> Lock 'pipe_lock': Acquisition by 'switch'.
debug> Lock 'pipe_lock': Release by 'switch'.
debug> Lock 'pipe_lock': Acquisition by 'switch'.
debug> Lock 'pipe_lock': Release by 'switch'.
debug> Execution lock: Release by 'relax_disp' ('auto-analysis' mode).
debug> Execution lock: Release by 'script UI' ('script' mode).
E
==============================
========================================
ERROR: test_hansen_cpmg_data_auto_analysis
(test_suite.system_tests.relax_disp.Relax_disp)
Test of the dispersion auto-analysis using Dr. Flemming Hansen's CPMG data.
----------------------------------------------------------------------
Traceback (most recent call last):
File
"/Users/tlinnet/software/relax_trunk/test_suite/system_tests/relax_disp.py",
line 1256, in test_hansen_cpmg_data_auto_analysis
self.interpreter.run(script_file=status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'hansen_data.py')
File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
line 275, in run
return run_script(intro=self.__intro_string, local=locals(),
script_file=script_file, show_script=self.__show_script,
raise_relax_error=self.__raise_relax_error)
File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
line 569, in run_script
return console.interact(intro, local, script_file,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
line 468, in interact_script
exec_script(script_file, local)
File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
line 347, in exec_script
runpy.run_module(module, globals)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
line 180, in run_module
fname, loader, pkg_name)
File
"/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
line 72, in _run_code
exec code in run_globals
File
"/Users/tlinnet/software/relax_trunk/test_suite/system_tests/scripts/relax_disp/hansen_data.py",
line 58, in <module>
Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle,
results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC,
mc_sim_num=MC_NUM, numeric_only=ds.numeric_only)
File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
line 124, in __init__
self.run()
File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
line 502, in run
self.interpreter.model_selection(method=self.modsel,
modsel_pipe=self.name_pipe('final'), bundle=self.pipe_bundle,
pipes=self.model_pipes)
File "/Users/tlinnet/software/relax_trunk/prompt/uf_objects.py",
line 221, in __call__
self._backend(*new_args, **uf_kargs)
File "/Users/tlinnet/software/relax_trunk/pipe_control/model_selection.py",
line 214, in select
k, n, chi2 = model_statistics[pipe](model_info, global_stats=global_flag)
File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py",
line 698, in model_statistics
k = param_num(spins=spins)
File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/parameters.py",
line 900, in param_num
raise RelaxError("The number of parameters for each spin in the
cluster are not the same.")
RelaxError: RelaxError: The number of parameters for each spin in the
cluster are not the same.
2014-05-05 14:38 GMT+02:00 Edward d'Auvergne <[email protected]>:
> Hi Troels,
>
> But the model_statistics() method was never broken? If it wasn't
> working, that would be because of a problem elsewhere. Please revert
> this commit. I would like to see where the breakage occurs.
>
> Cheers,
>
> Edward
>
>
>
> On 5 May 2014 02:23, Troels Emtekær Linnet <[email protected]> wrote:
>> This commit did no go so well:
>> relax -s Relax_disp.test_hansen_cpmg_data_auto_analysis -d
>>
>> model_selection(method='AIC', modsel_pipe='final - relax_disp',
>> bundle='relax_disp', pipes=['No Rex - relax_disp', 'LM63 -
>> relax_disp', 'CR72 - relax_disp', 'IT99 - relax_disp'])
>> AIC model selection.
>>
>>
>> The spin cluster [':4@N'].
>> debug> Lock 'pipe_lock': Acquisition by 'switch'.
>> debug> Lock 'pipe_lock': Release by 'switch'.
>> debug> Lock 'pipe_lock': Acquisition by 'switch'.
>> debug> Lock 'pipe_lock': Release by 'switch'.
>> debug> Execution lock: Release by 'relax_disp' ('auto-analysis' mode).
>> debug> Execution lock: Release by 'script UI' ('script' mode).
>> E
>> ======================================================================
>> ERROR: test_hansen_cpmg_data_auto_analysis
>> (test_suite.system_tests.relax_disp.Relax_disp)
>> Test of the dispersion auto-analysis using Dr. Flemming Hansen's CPMG data.
>> ----------------------------------------------------------------------
>> Traceback (most recent call last):
>> File
>> "/Users/tlinnet/software/relax_trunk/test_suite/system_tests/relax_disp.py",
>> line 1256, in test_hansen_cpmg_data_auto_analysis
>> self.interpreter.run(script_file=status.install_path +
>> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'hansen_data.py')
>> File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
>> line 275, in run
>> return run_script(intro=self.__intro_string, local=locals(),
>> script_file=script_file, show_script=self.__show_script,
>> raise_relax_error=self.__raise_relax_error)
>> File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
>> line 569, in run_script
>> return console.interact(intro, local, script_file,
>> show_script=show_script, raise_relax_error=raise_relax_error)
>> File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
>> line 468, in interact_script
>> exec_script(script_file, local)
>> File "/Users/tlinnet/software/relax_trunk/prompt/interpreter.py",
>> line 347, in exec_script
>> runpy.run_module(module, globals)
>> File
>> "/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
>> line 180, in run_module
>> fname, loader, pkg_name)
>> File
>> "/Library/Frameworks/Python.framework/Versions/7.3/lib/python2.7/runpy.py",
>> line 72, in _run_code
>> exec code in run_globals
>> File
>> "/Users/tlinnet/software/relax_trunk/test_suite/system_tests/scripts/relax_disp/hansen_data.py",
>> line 58, in <module>
>> Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle,
>> results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC,
>> mc_sim_num=MC_NUM, numeric_only=ds.numeric_only)
>> File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
>> line 124, in __init__
>> self.run()
>> File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
>> line 502, in run
>> self.interpreter.model_selection(method=self.modsel,
>> modsel_pipe=self.name_pipe('final'), bundle=self.pipe_bundle,
>> pipes=self.model_pipes)
>> File "/Users/tlinnet/software/relax_trunk/prompt/uf_objects.py",
>> line 221, in __call__
>> self._backend(*new_args, **uf_kargs)
>> File "/Users/tlinnet/software/relax_trunk/pipe_control/model_selection.py",
>> line 214, in select
>> k, n, chi2 = model_statistics[pipe](model_info, global_stats=global_flag)
>> File
>> "/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py",
>> line 698, in model_statistics
>> k = param_num(spins=spins)
>> File
>> "/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/parameters.py",
>> line 900, in param_num
>> raise RelaxError("The number of parameters for each spin in the
>> cluster are not the same.")
>> RelaxError: RelaxError: The number of parameters for each spin in the
>> cluster are not the same.
>>
>>
>> ---------- Forwarded message ----------
>> From: <[email protected]>
>> Date: 2014-05-05 1:59 GMT+02:00
>> Subject: r22954 - /trunk/specific_analyses/relax_disp/api.py
>> To: [email protected]
>>
>>
>> Author: tlinnet
>> Date: Mon May 5 01:59:58 2014
>> New Revision: 22954
>>
>> URL: http://svn.gna.org/viewcvs/relax?rev=22954&view=rev
>> Log:
>> 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
>> URL:
>> http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=22954&r1=22953&r2=22954&view=diff
>> ==============================================================================
>> --- trunk/specific_analyses/relax_disp/api.py (original)
>> +++ trunk/specific_analyses/relax_disp/api.py Mon May 5 01:59:58 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)
>>
>>
>> _______________________________________________
>> relax (http://www.nmr-relax.com)
>>
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