Hi, I think for the parameter file settings dialog box we need to be clearer. I think there could be some text introduced before the text entry boxes explaining what this is. Something like:
"Please enter the column numbers of your data files corresponding to the following molecular information:" This dialog could in the next iteration be used for each *.read() user function call. This would be more useful as the sequence could be read out of a PDB file, and the relaxation data could come from Sparky output files, or Excel csv files the user used to fit the data with. I think we could also introduce in this dialog the column separator, with explanatory text, which defaults to 'whitespace', but could be changed to ',', '\t', etc. This could even be a pre-select list the user chooses from. What do you think? Cheers, Edward On 22 April 2010 06:43, <[email protected]> wrote: > Author: michaelbieri > Date: Thu Apr 22 06:43:24 2010 > New Revision: 11120 > > URL: http://svn.gna.org/viewcvs/relax?rev=11120&view=rev > Log: > Parameter file settings are used and can be changed. > > 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=11120&r1=11119&r2=11120&view=diff > ============================================================================== > --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original) > +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Thu Apr 22 > 06:43:24 2010 > @@ -545,6 +545,9 @@ > data.bond_length = 1.02 * 1e-10 > data.csa = -172 * 1e-6 > > + # Import parameter file settings. > + param = ds.relax_gui.file_setting > + > # The relaxation data (data type, frequency label, frequency, file > name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, > spin_name_col, data_col, error_col, sep). These are the arguments to the > relax_data.read() user function, please see the documentation for that > function for more information. > data.relax_data = [] > for i in range(3): > @@ -557,9 +560,9 @@ > continue > > # Append the relaxation data. > - data.relax_data.append(['R1', str(frq), float(frq)*1e6, > files[1], None, None, 2, 3, 4, 5, 6, 7, None]) > - data.relax_data.append(['R2', str(frq), float(frq)*1e6, > files[2], None, None, 2, 3, 4, 5, 6, 7, None]) > - data.relax_data.append(['NOE', str(frq), float(frq)*1e6, > files[0], None, None, 2, 3, 4, 5, 6, 7, None]) > + data.relax_data.append(['R1', str(frq), float(frq)*1e6, > files[1], None, None, param[1], param[2], param[3], param[4], param[5], > param[6], None]) > + data.relax_data.append(['R2', str(frq), float(frq)*1e6, > files[2], None, None, param[1], param[2], param[3], param[4], param[5], > param[6], None]) > + data.relax_data.append(['NOE', str(frq), float(frq)*1e6, > files[0], None, None, param[1], param[2], param[3], param[4], param[5], > param[6], None]) > > # Unresolved resiudes > file = DummyFileObject() > > > _______________________________________________ > 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
