relax (molecular dynamics analysis)

Hi, The fix was so that the error is now visible in the GUI test. However the test passes so you only see it when the debug flag is given. I'm not sure how to propagate the error yet - something is catching it and allowing the program to continue ... [More] executing normally, despite the spin viewer window being dead. This is a useful feature when using a GUI, but horrible for debugging! Regards, Edward On 14 January 2015 at 16:14, Troels Emtekær Linnet <tlinnet< at >nmr-relax.com> wrote: _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel< at >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 [Less]

Hi Ed. I still see the error. Best Troels 2015-01-14 15:35 GMT+01:00 Edward d Auvergne < NO-REPLY.INVALID-ADDRESS-8nu/KwtRnEU< at >public.gmane.org>:

Follow-up Comment #6, bug #23186 (project relax): I would suggest the following (which would require a lot of testing and checking, as it may kill the R2eff model): $ svn diff specific_analyses/relax_disp/api.py Index: ... [More] specific_analyses/relax_disp/api.py =================================================================== --- specific_analyses/relax_disp/api.py (revision 27163) +++ specific_analyses/relax_disp/api.py (working copy) < at >< at > -1485,8 +1485,10 < at >< at > # Convert the parameter index. if model_param: param_name, si, mi = param_index_to_param_info(index=index, spins=spins) - if not param_name in ['r2eff', 'i0']: + if param_name in ['r2eff', 'i0']: si = 0 + elif si == None: + si = 0 else: param_name = aux_params[index - total_param_num] si = 0 _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23186> _____________________ [Less]

Follow-up Comment #7, bug #23187 (project relax): Ok, I've fixed the GUI code: http://article.gmane.org/gmane.science.nmr.relax.scm/24915 Now to work out how the error can be caught in the test! ... [More] _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23187> _______________________________________________ Message sent via/by Gna! http://gna.org/ [Less]

Follow-up Comment #5, bug #23186 (project relax): Hi Ed. Do you have a suggestion how to fix this? Best Troels _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23186> _______________________________________________ Message sent via/by Gna! http://gna.org/

Follow-up Comment #6, bug #23187 (project relax): I'll have a look and see what's happening. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23187> _______________________________________________ Message sent via/by Gna! http://gna.org/

Follow-up Comment #4, bug #23187 (project relax): This will NOT catch the error. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23187> _______________________________________________ Message sent via/by Gna! http://gna.org/

Follow-up Comment #3, bug #23187 (project relax): def test_bug_23187_residue_delete_gui(self): """Catch U{bug #23187<https://gna.org/bugs/?23187>}, deleting residue in GUI, and then open spin viewer crashes relax.""" # Mf ... [More] tab: Simulate the new analysis wizard. analysis = self.new_analysis_wizard(analysis_type='mf', analysis_name='Mf test', pipe_name='mf', pipe_bundle='mf bundle') self._execute_uf(uf_name='residue.create', res_num=1) self._execute_uf(uf_name='residue.create', res_num=2) # Launch the spin viewer window. self.app.gui.show_tree() # Close the spin viewer window. self.app.gui.spin_viewer.handler_close() # Delete spin, self._execute_uf(uf_name='residue.delete', res_id=":2") # Launch the spin viewer window. self.app.gui.show_tree() relax_tomat --gui-tests General.test_bug_23187_residue_delete_gui --time _______________________________________________________ Reply to this item [Less]

Hi Troels, Forget that last message, the send button got in the way of the mouse! I would suggest also checking a spin independent parameter as well, for example k_AB, just for sanity to make sure that a fix doesn't break this different parameter ... [More] class. Cheers, Edward On 14 January 2015 at 14:55, <tlinnet-kqII41Zox2pDPfheJLI6IQ< at >public.gmane.org> wrote: [Less]

Hi Troels, On 14 January 2015 at 14:55, <tlinnet-kqII41Zox2pDPfheJLI6IQ< at >public.gmane.org> wrote: