Hi Michael, This test could be made more flexible, as the code still prevents valid analyses. For example if all but 1 R1 set is considered useless. There could be 3 or 4 R2 and NOE data sets, but if there is only 1 R1, the GUI will not perform model-free analysis. The best test here would be to count the total of all relaxation data sets. The most complex model in the dauvergne_protocol automatic analysis is tm8 with 6 parameters. So the GUI should simply fail if there is less than 6 data sets, otherwise the data should be accepted.
Cheers, Edward On 6 December 2010 03:56, <[email protected]> wrote: > Author: michaelbieri > Date: Mon Dec 6 03:56:55 2010 > New Revision: 11701 > > URL: http://svn.gna.org/viewcvs/relax?rev=11701&view=rev > Log: > To pass thecheckpoint to start model-free analysis, at least two parameters > files per parameter (NOE, R1, R2) have to be given. > > Modified: > branches/bieri_gui/gui_bieri/analyses/auto_model_free.py > > Modified: branches/bieri_gui/gui_bieri/analyses/auto_model_free.py > URL: > http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py?rev=11701&r1=11700&r2=11701&view=diff > ============================================================================== > --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original) > +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Mon Dec 6 > 03:56:55 2010 > @@ -738,44 +738,43 @@ > > def check_entries(self): > check = False > - counter = 0 > + counter_frq = 0 > + counter_noe = 0 > + counter_r1 = 0 > + counter_r2 = 0 > > # check frq 1 > if not self.modelfreefreq1.GetValue() == '': > - counter = counter + 1 > + counter_frq = counter_frq + 1 > if not self.m_noe_1.GetValue() == '': > - counter = counter + 1 > + counter_noe = counter_noe + 1 > if not self.m_r1_1.GetValue() == '': > - counter = counter + 1 > + counter_r1 = counter_r1 + 1 > if not self.m_r2_1.GetValue() == '': > - counter = counter + 1 > + counter_r2 = counter_r2 + 1 > > # check frq 1 > if not self.modelfreefreq2.GetValue() == '': > - counter = counter + 1 > + counter_frq = counter_frq + 1 > if not self.m_noe_2.GetValue() == '': > - counter = counter + 1 > + counter_noe = counter_noe + 1 > if not self.m_r1_2.GetValue() == '': > - counter = counter + 1 > + counter_r1 = counter_r1 + 1 > if not self.m_r2_2.GetValue() == '': > - counter = counter + 1 > + counter_r2 = counter_r2 + 1 > > # check frq 1 > if not self.modelfreefreq3.GetValue() == '': > - counter = counter + 1 > + counter_frq = counter_frq + 1 > if not self.m_noe_3.GetValue() == '': > - counter = counter + 1 > + counter_noe = counter_noe + 1 > if not self.m_r1_3.GetValue() == '': > - counter = counter + 1 > + counter_r1 = counter_r1 + 1 > if not self.m_r2_3.GetValue() == '': > - counter = counter + 1 > - > - # two field strength ok > - if counter == 8: > - check = True > - > - # three field strength ok > - elif counter == 12: > + counter_r2 = counter_r2 + 1 > + > + # each parameter has to be present at least in doublicates > + if counter_frq > 1 and counter_noe > 1 and counter_r1 > 1 and > counter_r2 > 1: > check = True > > # missing data > > > _______________________________________________ > relax (http://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://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
