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 <tlinnet@xxxxxxxxxxxxx> 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 <edward@xxxxxxxxxxxxx>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 <tlinnet@xxxxxxxxxxxxx> wrote:Hi Edward. I still see the same behavior. Best Troels 2013/10/23 Edward d'Auvergne <edward@xxxxxxxxxxxxx>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 <tlinnet@xxxxxxxxxxxxx> 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 relax-devel@xxxxxxx 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