Author: bugman Date: Tue Jul 17 10:20:56 2012 New Revision: 17266 URL: http://svn.gna.org/viewcvs/relax?rev=17266&view=rev Log: Fix for the structure.get_pos user function backend. The structural API atom_loop() method has been rewritten in this branch to be much faster, and the new version of this method does not work with models. Modified: branches/frame_order_testing/generic_fns/structure/main.py Modified: branches/frame_order_testing/generic_fns/structure/main.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/structure/main.py?rev=17266&r1=17265&r2=17266&view=diff ============================================================================== --- branches/frame_order_testing/generic_fns/structure/main.py (original) +++ branches/frame_order_testing/generic_fns/structure/main.py Tue Jul 17 10:20:56 2012 @@ -247,15 +247,8 @@ raise RelaxNoPdbError # Loop over all atoms of the spin_id selection. - model_index = -1 - last_model = None data = [] - for model_num, mol_name, res_num, res_name, atom_num, atom_name, element, pos in cdp.structure.atom_loop(atom_id=spin_id, str_id=str_id, mol_name_flag=True, res_num_flag=True, res_name_flag=True, atom_num_flag=True, atom_name_flag=True, element_flag=True, pos_flag=True, ave=ave_pos): - # Update the model info. - if last_model != model_num: - model_index = model_index + 1 - last_model = model_num - + for mol_name, res_num, res_name, atom_num, atom_name, element, pos in cdp.structure.atom_loop(atom_id=spin_id, str_id=str_id, mol_name_flag=True, res_num_flag=True, res_name_flag=True, atom_num_flag=True, atom_name_flag=True, element_flag=True, pos_flag=True, ave=ave_pos): # Remove the '+' regular expression character from the mol, res, and spin names! if mol_name and search('\+', mol_name): mol_name = replace(mol_name, '+', '')