URL:
<http://gna.org/bugs/?22849>
Summary: Failure of the N-state model analysis when
optimising only alignment tensors using RDCs and/or PCSs.
Project: relax
Submitted by: bugman
Submitted on: Wed 22 Oct 2014 06:27:26 AM UTC
Category: relax's source code
Specific analysis category: N-state model (ensemble analysis)
Priority: 7 - High
Severity: 4 - Important
Status: None
Assigned to: bugman
Originator Name:
Originator Email:
Open/Closed: Open
Release: 3.3.1
Discussion Lock: Any
Operating System: All systems
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Details:
This affects the 'fixed' model whereby only alignment tensors are optimised,
and not the populations of an ensemble. The errors appears as:
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, 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])
TypeError: 'NoneType' object has no attribute '__getitem__'
_______________________________________________________
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[bug #22849] Failure of the N-state model analysis when optimising only alignment tensors using RDCs and/or PCSs.