Hmmm, very strange. I just repeated your steps and managed to add the spin ":4" to 'model_cluster'. I cannot see the problem on my system. Which OS are you on and which wxPython version are you using? I might have to test this on a different OS!
Cheers, Edward On 23 October 2013 18:04, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > Version is: > 21219 > > If I do this in the prompt: > -------- > pipe.create(pipe_name='test', bundle='test', pipe_type='relax_disp') > > spin.create(spin_name='N', spin_num=1, res_name='V', res_num=2, > mol_name=None) > spin.create(spin_name='N', spin_num=2, res_name='F', res_num=3, > mol_name=None) > spin.create(spin_name='N', spin_num=3, res_name='G', res_num=4, > mol_name=None) > spin.create(spin_name='N', spin_num=4, res_name='R', res_num=5, > mol_name=None) > spin.create(spin_name='N', spin_num=5, res_name='C', res_num=6, > mol_name=None) > > relax_disp.cluster('model_cluster', ':2@N') > relax_disp.cluster('model_cluster', ':3@N') > --------- > > cdp.clustering > {'free spins': [':4@N', ':5@N', ':6@N'], 'model_cluster': [':2@N', ':3@N']} > > Open Data Pipe Editor (Ctrl+d) > Right click the pipe, and click "Associate with new auto-analysis". > > The "free spins, model_cluster" is in the line. > > But if I Click "Cluster button", I cannot assign new spin ids to > 'model_cluster' > since that label is not available in the dropdown. > > > 2013/10/23 Edward d'Auvergne <[email protected]> >> >> This is strange. In the relax_disp branch I started the GUI with: >> >> $ relax -g >> >> Then started a new dispersion analysis, opened the prompt window and >> typed: >> >> relax> cdp.clustering = { >> 'free spins': [':5@N', ':9@N', ':11@N', ':12@N', ':13@N', ':14@N', >> ':25@N', ':31@N', ':33@N', ':39@N', ':42@N', ':80@N', ':87@N', >> ':89@N', ':90@N', ':111@N', ':121@N'], >> 'model_cluster': [':2@N', ':3@N', ':4@N', ':6@N', ':7@N', ':8@N', >> ':10@N', ':15@N', ':16@N', ':17@N', ':18@N', ':19@N', ':20@N', >> ':21@N', ':22@N', ':23@N', ':26@N', ':27@N', ':28@N', ':29@N', >> ':30@N', ':32@N', ':34@N', ':35@N', ':36@N', ':37@N', ':38@N', >> ':40@N', ':41@N', ':43@N', ':44@N', ':45@N', ':46@N', ':48@N', >> ':49@N', ':50@N', ':51@N', ':52@N', ':54@N', ':55@N', ':56@N', >> ':57@N', ':58@N', ':59@N', ':60@N', ':61@N', ':62@N', ':63@N', >> ':64@N', ':65@N', ':66@N', ':67@N', ':68@N', ':72@N', ':73@N', >> ':74@N', ':75@N', ':76@N', ':77@N', ':78@N', ':81@N', ':82@N', >> ':83@N', ':84@N', ':85@N', ':91@N', ':92@N', ':93@N', ':94@N', >> ':95@N', ':96@N', ':97@N', ':98@N', ':99@N', ':100@N', ':101@N', >> ':104@N', ':105@N', ':106@N', ':107@N', ':109@N', ':110@N', ':112@N', >> ':113@N', ':114@N', ':115@N', ':116@N', ':118@N', ':120@N', ':122@N', >> ':123@N', ':124@N', ':125@N', ':127@N', ':129@N'] >> } >> >> Then when I click on the 'Cluster' button in the GUI, I can select >> both the 'free spins' and 'model_cluster'. Maybe I was a bit fast >> with the email. Could you update your code again, check that you have >> r21219, and then see if the problem is still there? >> >> Cheers, >> >> Edward >> >> >> >> >> >> On 23 October 2013 17:24, Troels Emtekær Linnet <[email protected]> >> wrote: >> > Hi Edward. >> > >> > I still see the same behavior. >> > >> > Best >> > Troels >> > >> > >> > 2013/10/23 Edward d'Auvergne <[email protected]> >> >> >> >> Hi Troels, >> >> >> >> This does look like it is an issue. I think I have located the >> >> problem to the _cluster_ids() method in >> >> specific_analyses/relax_disp/api.py. At least I fixed a bug in that >> >> method. Could you check again to see if it is fixed? >> >> >> >> Cheers, >> >> >> >> Edward >> >> >> >> >> >> >> >> On 22 October 2013 19:34, Troels Emtekær Linnet <[email protected]> >> >> wrote: >> >> > Hi Edward. >> >> > >> >> > Before I do a clustering analysis, I often prepare the data in >> >> > scripts, >> >> > save >> >> > the state, and then >> >> > inspect the setup in the GUI. >> >> > >> >> > I open the relax saved state. >> >> > Open the Data Pipe Editor (Ctrl+d) >> >> > Right click the pipe, and click "Associate with new auto-analysis". >> >> > >> >> > If I open the prompt (Ctrl+p), and write >> >> > cdp.clustering >> >> > >> >> > I get >> >> > { >> >> > 'free spins': [':5@N', ':9@N', ':11@N', ':12@N', ':13@N', ':14@N', >> >> > ':25@N', >> >> > ':31@N', ':33@N', ':39@N', ':42@N', ':80@N', ':87@N', ':89@N', >> >> > ':90@N', >> >> > ':111@N', ':121@N'], >> >> > 'model_cluster': [':2@N', ':3@N', ':4@N', ':6@N', ':7@N', ':8@N', >> >> > ':10@N', >> >> > ':15@N', ':16@N', ':17@N', ':18@N', ':19@N', ':20@N', ':21@N', >> >> > ':22@N', >> >> > ':23@N', ':26@N', ':27@N', ':28@N', ':29@N', ':30@N', ':32@N', >> >> > ':34@N', >> >> > ':35@N', ':36@N', ':37@N', ':38@N', ':40@N', ':41@N', ':43@N', >> >> > ':44@N', >> >> > ':45@N', ':46@N', ':48@N', ':49@N', ':50@N', ':51@N', ':52@N', >> >> > ':54@N', >> >> > ':55@N', ':56@N', ':57@N', ':58@N', ':59@N', ':60@N', ':61@N', >> >> > ':62@N', >> >> > ':63@N', ':64@N', ':65@N', ':66@N', ':67@N', ':68@N', ':72@N', >> >> > ':73@N', >> >> > ':74@N', ':75@N', ':76@N', ':77@N', ':78@N', ':81@N', ':82@N', >> >> > ':83@N', >> >> > ':84@N', ':85@N', ':91@N', ':92@N', ':93@N', ':94@N', ':95@N', >> >> > ':96@N', >> >> > ':97@N', ':98@N', ':99@N', ':100@N', ':101@N', ':104@N', ':105@N', >> >> > ':106@N', >> >> > ':107@N', ':109@N', ':110@N', ':112@N', ':113@N', ':114@N', ':115@N', >> >> > ':116@N', ':118@N', ':120@N', ':122@N', ':123@N', ':124@N', ':125@N', >> >> > ':127@N', ':129@N'] >> >> > } >> >> > >> >> > But if I click the "Cluster" button, The cluster ID "model_cluster'", >> >> > is >> >> > not >> >> > available from the drop-down list. >> >> > >> >> > Should this be fixed? >> >> > >> >> > Best >> >> > Troels >> >> > >> >> > _______________________________________________ >> >> > 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 >> >> > >> > >> > > > _______________________________________________ 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
