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 _______________________________________________________ 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__' _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?22849> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel