Author: bugman Date: Thu Nov 3 10:29:12 2011 New Revision: 14963 URL: http://svn.gna.org/viewcvs/relax?rev=14963&view=rev Log: Shifted the add_molecule() method to the correct position. Modified: 1.3/generic_fns/structure/internal.py Modified: 1.3/generic_fns/structure/internal.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=14963&r1=14962&r2=14963&view=diff ============================================================================== --- 1.3/generic_fns/structure/internal.py (original) +++ 1.3/generic_fns/structure/internal.py Thu Nov 3 10:29:12 2011 @@ -53,19 +53,6 @@ # Identification string. id = 'internal' - - - def add_molecule(self, name=None, model=None): - """Add a new molecule to the store. - - @keyword name: The molecule identifier string. - @type name: str - @keyword model: The number of the model to add the molecule to. - @type model: int or None - """ - - # Create the structural data data structures. - self.pack_structs([[MolContainer()]], orig_model_num=[model], orig_mol_num=[None], set_mol_name=[name]) def _bonded_atom(self, attached_atom, index, mol): @@ -623,6 +610,19 @@ # Add the atom. mol.atom_add(atom_name=atom_name, res_name=res_name, res_num=res_num, pos=pos, element=element, atom_num=atom_num, chain_id=chain_id, segment_id=segment_id, pdb_record=pdb_record) + + + def add_molecule(self, name=None, model=None): + """Add a new molecule to the store. + + @keyword name: The molecule identifier string. + @type name: str + @keyword model: The number of the model to add the molecule to. + @type model: int or None + """ + + # Create the structural data data structures. + self.pack_structs([[MolContainer()]], orig_model_num=[model], orig_mol_num=[None], set_mol_name=[name]) def atom_loop(self, atom_id=None, str_id=None, model_num=None, model_num_flag=False, mol_name_flag=False, res_num_flag=False, res_name_flag=False, atom_num_flag=False, atom_name_flag=False, element_flag=False, pos_flag=False, ave=False):