Hi Troels, I have few points about this change:
1) I think it would be good to put this lower down, between the "Per model error analysis" and "Insignificance level" options. 2) The tooltop text should be expanded to explain the negative side of this. Firstly this is experimental and I would not consider it fully tested, so it would be good to include such wording. Also include wording such as "this experimental feature is unpublished". This is not a perfect solution. Setting R20 values to the minimum R2eff/R1rho value can actually be quite dangerous if R20 >> min(R2eff) - this will result in a completely false grid search which is not around the real minimum. If the user has access to a cluster then it would be preferable to skip this option. Some more text such as "only use this if you know what you are doing", or "use at your own risk" would be good as well. 3) The text description would be better as "Set R20 to the minimum R2eff". All users will automatically turn on the option to "Speed up of grid search" without thinking. But they should only do this if they know what they are doing, and they know how this option can fail. So changing the text to something more specific will make them think twice. Cheers, Edward On 25 April 2014 19:28, <[email protected]> wrote: > Author: tlinnet > Date: Fri Apr 25 19:28:36 2014 > New Revision: 22862 > > URL: http://svn.gna.org/viewcvs/relax?rev=22862&view=rev > Log: > Added True/False button to activate relax_disp.set_grid_r20_from_min_r2eff in > auto analyses. > > Feature request: #3151, (https://gna.org/support/index.php?3151) - User > function to set the R20 parameters in the default grid search using the > minimum R2eff value. > > Modified: > trunk/gui/analyses/auto_relax_disp.py > > Modified: trunk/gui/analyses/auto_relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/gui/analyses/auto_relax_disp.py?rev=22862&r1=22861&r2=22862&view=diff > ============================================================================== > --- trunk/gui/analyses/auto_relax_disp.py (original) > +++ trunk/gui/analyses/auto_relax_disp.py Fri Apr 25 19:28:36 2014 > @@ -360,6 +360,10 @@ > # The grid search optimisation settings. > self.grid_inc = Spin_ctrl(box, self, text="Grid search increments:", > default=21, min=1, max=100, tooltip="This is the number of increments per > dimension of the grid search performed prior to numerical optimisation.", > width_text=self.width_text, width_button=self.width_button, > spacer=self.spacer_horizontal) > > + # The speed up of grid search. > + tooltip = "True will set the grid %s values from the minimum %s/%s > values. This will speed up the grid search with a factor > GRID_INC^(Nr_spec_freq). For a CPMG experiment with two fields and standard > GRID_INC=21, the speed-up is a factor 441." % (r2, r2eff, r1rho) > + self.set_grid_r20 = Boolean_ctrl(box, self, text="Speed up of grid > search", default=False, tooltip=tooltip, width_text=self.width_text, > width_button=self.width_button, spacer=self.spacer_horizontal) > + > # The MC simulation settings. > self.mc_sim_num = Spin_ctrl(box, self, text="Monte Carlo simulation > number:", default=500, min=1, max=100000, tooltip="This is the number of > Monte Carlo simulations performed for error propagation and analysis. For > best results, at least 500 is recommended.", width_text=self.width_text, > width_button=self.width_button, spacer=self.spacer_horizontal) > self.mc_sim_all_models = Boolean_ctrl(box, self, text="Per model > error analysis:", default=False, tooltip="A flag which if True will cause > Monte Carlo simulations to be performed for each individual model. Otherwise > Monte Carlo simulations will be reserved for the final model.", > width_text=self.width_text, width_button=self.width_button, > spacer=self.spacer_horizontal) > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > 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-commits _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] 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
