mailRe: r22954 - /trunk/specific_analyses/relax_disp/api.py


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Posted by Troels Emtekær Linnet on May 05, 2014 - 15:31:
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 <edward@xxxxxxxxxxxxx>:
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 <tlinnet@xxxxxxxxxxxxx> 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:  <tlinnet@xxxxxxxxxxxxx>
Date: 2014-05-05 1:59 GMT+02:00
Subject: r22954 - /trunk/specific_analyses/relax_disp/api.py
To: relax-commits@xxxxxxx


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)


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