Follow-up Comment #1, bug #22849 (project relax):
This appears to have been broken with the implementation of the zooming grid
search. However as it seems that the test suite has not been testing this
code path, the analysis has suffered from bit rot. This is now tested in the
test suite:
http://article.gmane.org/gmane.science.nmr.relax.scm/24079
And it is partially fixed:
http://article.gmane.org/gmane.science.nmr.relax.scm/24080
Though another error remains:
relax> minimise.grid_search(lower=None, upper=None, inc=5, verbosity=1,
constraints=True, skip_preset=True)
Grid search setup
-----------------
# Parameter Lower bound Upper bound Increments
Comment
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Axx -0.001 0.001 5
Default bounds
Ayy -0.001 0.001 5
Default bounds
Axy -0.001 0.001 5
Default bounds
Axz -0.001 0.001 5
Default bounds
Ayz -0.001 0.001 5
Default bounds
Optimising each alignment tensor separately.
Traceback (most recent call last):
File "/data/relax/relax-trunk/multi/processor.py", line 494, in run
self.callback.init_master(self)
File "/data/relax/relax-trunk/multi/__init__.py", line 318, in
default_init_master
self.master.run()
File "/data/relax/relax-trunk/relax.py", line 199, in run
self.interpreter.run(self.script_file)
File "/data/relax/relax-trunk/prompt/interpreter.py", line 279, 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 "/data/relax/relax-trunk/prompt/interpreter.py", line 585, in
run_script
return console.interact(intro, local, script_file,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/data/relax/relax-trunk/prompt/interpreter.py", line 484, in
interact_script
exec_script(script_file, local)
File "/data/relax/relax-trunk/prompt/interpreter.py", line 363, in
exec_script
runpy.run_module(module, globals)
File "/usr/lib64/python2.7/runpy.py", line 180, in run_module
fname, loader, pkg_name)
File "/usr/lib64/python2.7/runpy.py", line 72, in _run_code
exec code in run_globals
File "/data/postdoc/CaM/align_data/CaM_IQ/tensors/Ndom_I_IV/tensor_fit.py",
line 74, in <module>
minimise.grid_search(inc=5)
File "/data/relax/relax-trunk/prompt/uf_objects.py", line 226, in __call__
self._backend(*new_args, **uf_kargs)
File "/data/relax/relax-trunk/pipe_control/minimise.py", line 213, in
grid_search
api.grid_search(lower=model_lower, upper=model_upper, inc=model_inc,
scaling_matrix=scaling_matrix, constraints=constraints, verbosity=verbosity)
File "/data/relax/relax-trunk/specific_analyses/n_state_model/api.py", line
385, in grid_search
self.minimise(min_algor='grid', lower=[lower_sub], upper=[upper_sub],
inc=[inc_sub], scaling_matrix=[None], constraints=constraints,
verbosity=verbosity, sim_index=sim_index)
File "/data/relax/relax-trunk/specific_analyses/n_state_model/api.py", line
466, in minimise
model, param_vector, data_types = target_fn_setup(sim_index=sim_index,
scaling_matrix=scaling_matrix[0])
File
"/data/relax/relax-trunk/specific_analyses/n_state_model/optimisation.py",
line 330, in target_fn_setup
full_tensors = minimise_setup_fixed_tensors()
File
"/data/relax/relax-trunk/specific_analyses/n_state_model/optimisation.py",
line 255, in minimise_setup_fixed_tensors
tensors[5*index + 0] = cdp.align_tensors[i].Axx
AttributeError: 'AlignTensorData' object has no attribute 'Axx'
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[bug #22849] Failure of the N-state model analysis when optimising only alignment tensors using RDCs and/or PCSs.