Hi Troels, I would recommend using the return_spin() function rather than are_spins_named(). This will be far more reliable. The return_spin() function will return None if the spin ID does not exist.
Regards, Edward On 6 December 2013 09:16, <[email protected]> wrote: > Author: tlinnet > Date: Fri Dec 6 09:16:36 2013 > New Revision: 21809 > > URL: http://svn.gna.org/viewcvs/relax?rev=21809&view=rev > Log: > Insert check if spin already exist, before creating it. > > Work in progress for Support Request #3044, > (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. > > Modified: > trunk/pipe_control/spectrum.py > > Modified: trunk/pipe_control/spectrum.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/pipe_control/spectrum.py?rev=21809&r1=21808&r2=21809&view=diff > ============================================================================== > --- trunk/pipe_control/spectrum.py (original) > +++ trunk/pipe_control/spectrum.py Fri Dec 6 09:16:36 2013 > @@ -37,7 +37,7 @@ > from lib.statistics import std > from lib.warnings import RelaxWarning, RelaxNoSpinWarning > from pipe_control import pipes > -from pipe_control.mol_res_spin import check_mol_res_spin_data, create_spin, > generate_spin_id_unique, return_spin, spin_loop > +from pipe_control.mol_res_spin import are_spins_named, > check_mol_res_spin_data, create_spin, generate_spin_id_unique, return_spin, > spin_loop > > > def __errors_height_no_repl(): > @@ -649,14 +649,21 @@ > peak_list = read_peak_list(file=file, dir=dir, spin_id_col=spin_id_col, > mol_name_col=mol_name_col, res_num_col=res_num_col, > res_name_col=res_name_col, spin_num_col=spin_num_col, > spin_name_col=spin_name_col, sep=sep, spin_id=spin_id) > > # Loop over the peak_list. > + created_spins = [] > for assign in peak_list: > mol_name = assign.mol_names[dim-1] > res_num = assign.res_nums[dim-1] > res_name = assign.res_names[dim-1] > spin_num = assign.spin_nums[dim-1] > spin_name = assign.spin_names[dim-1] > - # Create the spin > - create_spin(spin_num=spin_num, spin_name=spin_name, res_num=res_num, > res_name=res_name, mol_name=mol_name) > + > + # Generate the spin_id. > + spin_id = generate_spin_id_unique(mol_name=mol_name, > res_num=res_num, res_name=res_name, spin_name=spin_name) > + > + # Check if the spin already exist. > + if not are_spins_named(spin_id=spin_id): > + # Create the spin if not exist. > + create_spin(spin_num=spin_num, spin_name=spin_name, > res_num=res_num, res_name=res_name, mol_name=mol_name) > > # Test that data exists. > check_mol_res_spin_data() > > > _______________________________________________ > relax (http://www.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://www.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
