Author: bugman Date: Mon Jul 18 16:45:26 2011 New Revision: 13698 URL: http://svn.gna.org/viewcvs/relax?rev=13698&view=rev Log: Removed most of the code from assemble_data() - the auto NOE analysis is now completely different. Modified: branches/gui_testing/gui/analyses/auto_noe.py Modified: branches/gui_testing/gui/analyses/auto_noe.py URL: http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_noe.py?rev=13698&r1=13697&r2=13698&view=diff ============================================================================== --- branches/gui_testing/gui/analyses/auto_noe.py (original) +++ branches/gui_testing/gui/analyses/auto_noe.py Mon Jul 18 16:45:26 2011 @@ -132,27 +132,13 @@ def assemble_data(self): """Assemble the data required for the Auto_noe class. - See the docstring for auto_analyses.relax_fit for details. All data is taken from the relax data store, so data upload from the GUI to there must have been previously performed. - - @return: A container with all the data required for the auto-analysis, i.e. its keyword arguments seq_args, file_names, relax_times, int_method, mc_num. Also a list of missing data types. + @return: A container with all the data required for the auto-analysis. @rtype: class instance, list of str """ # The data container. data = Container() missing = [] - - # The pipe name. - if hasattr(self.data, 'pipe_name'): - data.pipe_name = self.data.pipe_name - else: - data.pipe_name = 'noe_%s' % time.asctime(time.localtime()) - - # The sequence data (file name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep). These are the arguments to the sequence.read() user function, for more information please see the documentation for that function. - if hasattr(self.data, 'sequence_file'): - data.seq_args = [self.data.sequence_file, None, None, 1, None, None, None, None] - else: - data.seq_args = None # The frequency. frq = gui_to_str(self.field_nmr_frq.GetValue()) @@ -164,41 +150,6 @@ # Results directory. data.save_dir = self.data.save_dir - - # The integration method. - data.int_method = 'height' - - # Import global settings. - global_settings = ds.relax_gui.global_setting - - # Hetero nucleus name. - data.heteronuc = global_settings[2] - - # Proton name. - data.proton = global_settings[3] - - # Unresolved spins. - file = DummyFileObject() - if self.data.unresolved: - entries = self.data.unresolved - entries = replace(entries, ',', '\n') - file.write(entries) - file.close() - data.unresolved = file - - # Structure file. - if hasattr(self.data, 'structure_file') and self.data.structure_file != self.gui.structure_file_pdb_msg: - data.structure_file = self.data.structure_file - else: - data.structure_file = None - - # Set Structure file as None if a sequence file is loaded. - if data.structure_file == '!!! Sequence file selected !!!': - data.structure_file = None - - # No sequence data. - if not data.seq_args and not data.structure_file: - missing.append('Sequence data files (text or PDB)') # Return the container and list of missing data. return data, missing