Author: bugman Date: Sun May 4 11:56:33 2008 New Revision: 6067 URL: http://svn.gna.org/viewcvs/relax?rev=6067&view=rev Log: Converted the number_residue() fn to the form of the number_spin() fn. Modified: branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py Modified: branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py URL: http://svn.gna.org/viewcvs/relax/branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py?rev=6067&r1=6066&r2=6067&view=diff ============================================================================== --- branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py (original) +++ branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py Sun May 4 11:56:33 2008 @@ -1165,40 +1165,27 @@ spin.name = name -def number_residue(res_id, new_number=None): - """Function for renumbering residues. - - @param res_id: The identifier string for the residue to renumber. +def number_residue(res_id, number=None): + """Number the residues. + + @param res_id: The residue identification string. @type res_id: str - @param new_number: The new residue number. - @type new_number: int - """ - - # Split up the selection string. - mol_token, res_token, spin_token = tokenise(res_id) - - # Disallow spin selections. - if spin_token != None: - raise RelaxSpinSelectDisallowError - - # Parse the tokens. - residues = parse_token(res_token) + @param number: The new residue number. + @type number: int + """ # Catch multiple renumberings! - number = 0 + i = 0 for res in residue_loop(res_id): - if res.num in residues or res.name in residues: - number = number + 1 + i = i + 1 # Fail if multiple residues are numbered. - if number > 1: - raise RelaxError, "The renumbering of multiple residues is disallowed." - - # Residue loop. + if i > 1: + raise RelaxError, "The numbering of multiple residues is disallowed, each residue requires a unique number." + + # Rename the residue. for res in residue_loop(res_id): - # Rename the residue is there is a match. - if res.num in residues or res.name in residues: - res.num = new_number + res.num = number def number_spin(spin_id=None, number=None):