Hi Troels, I'm not sure, but maybe you'll have to create a new function called loop_exp_frq_time()? You will probably end up with too many files otherwise. Alternatively, and probably better, would be to use the loop_exp_frq() function as before, but then add a new function to return all times for that ei and mi combination. Check that only one time is returned, then continue as before.
Regards, Edward On 30 April 2014 15:05, <[email protected]> wrote: > Author: tlinnet > Date: Wed Apr 30 15:05:53 2014 > New Revision: 22894 > > URL: http://svn.gna.org/viewcvs/relax?rev=22894&view=rev > Log: > Fix for letting ShereKhan user function write the time_T2 correct. > > bug #21995: (https://gna.org/bugs/index.php?21995) Creating sherekhan input > files, with data for several fields and different time_T2 > > Modified: > trunk/specific_analyses/relax_disp/sherekhan.py > > Modified: trunk/specific_analyses/relax_disp/sherekhan.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/sherekhan.py?rev=22894&r1=22893&r2=22894&view=diff > ============================================================================== > --- trunk/specific_analyses/relax_disp/sherekhan.py (original) > +++ trunk/specific_analyses/relax_disp/sherekhan.py Wed Apr 30 15:05:53 > 2014 > @@ -37,7 +37,7 @@ > from lib.physical_constants import g1H, g15N > from pipe_control import pipes > from pipe_control.mol_res_spin import exists_mol_res_spin_data, > return_residue > -from specific_analyses.relax_disp.data import loop_cluster, loop_exp_frq, > loop_offset_point, return_param_key_from_data, spin_ids_to_containers > +from specific_analyses.relax_disp.data import loop_cluster, > loop_exp_frq_point_time, loop_offset_point, return_param_key_from_data, > spin_ids_to_containers > > > def sherekhan_input(spin_id=None, force=False, dir='ShereKhan'): > @@ -77,7 +77,7 @@ > spins = spin_ids_to_containers(spin_ids) > > # Loop over the magnetic fields. > - for exp_type, frq, ei, mi in loop_exp_frq(return_indices=True): > + for exp_type, frq, point, time, ei, mi, di, ti in > loop_exp_frq_point_time(return_indices=True): > # The ShereKhan input file for the spin cluster. > file_name = 'sherekhan_frq%s.in' % (mi+1) > if dir != None: > @@ -90,7 +90,7 @@ > file.write("%s\n" % abs(frq / g1H * g15N / 1e6)) > > # The constant relaxation time for the CPMG experiment in > seconds. > - file.write("%s\n" % (cdp.relax_time_list[0])) > + file.write("%s\n" % (time)) > > # The comment line. > file.write("# %-18s %-20s %-20s\n" % ("nu_cpmg (Hz)", "R2eff > (rad/s)", "Error")) > > > _______________________________________________ > 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
