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"))