Hi Troels, It would be better to use the correct section link at http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax. That will make the release notes easier for me to create, as I already have quite a list of links to http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list which I have to change to the correct sections.
Cheers, Edward On 2 May 2014 14:47, <[email protected]> wrote: > Author: tlinnet > Date: Fri May 2 14:47:13 2014 > New Revision: 22930 > > URL: http://svn.gna.org/viewcvs/relax?rev=22930&view=rev > Log: > Small changes to synthetic script data generator. > > sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) > B14 model - 2-site exact solution model for all time scales. > > "This follows the tutorial for adding relaxation dispersion models at: > http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list"; > > The B14 model is explained in: http://wiki.nmr-relax.com/B14. > > Modified: > trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py > > Modified: trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py?rev=22930&r1=22929&r2=22930&view=diff > ============================================================================== > --- trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py > (original) > +++ trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py Fri > May 2 14:47:13 2014 > @@ -77,7 +77,7 @@ > > # The verbosity level. > if not hasattr(ds, 'verbosity'): > - ds.verbosity = 0 > + ds.verbosity = 1 > > # The rel_change WARNING level. > if not hasattr(ds, 'rel_change'): > @@ -94,6 +94,10 @@ > # The number of Monte Carlo simulations to be used for the error analyses. > if not hasattr(ds, 'MC_NUM'): > ds.MC_NUM = 3 > + > +# The print result info. > +if not hasattr(ds, 'print_res'): > + ds.print_res = True > > # Set up the data pipe. > ####################### > @@ -208,7 +212,7 @@ > ###Now back calculate, and stuff it back. > r2effs = optimisation.back_calc_r2eff(spin=cur_spin, > spin_id=cur_spin_id) > > - file = open_write_file(file_name=file_name, dir=ds.tmpdir, > force=True) > + file = open_write_file(file_name=file_name, dir=ds.resdir, > force=True) > ## Loop over the R2eff structure > # Loop over the points. > for offset, point, oi, di in > loop_offset_point(exp_type=EXP_TYPE_CPMG_SQ, frq=frq, return_indices=True): > @@ -220,7 +224,7 @@ > file.close() > > # Read in the R2eff file to put into spin structure. > - relax_disp.r2eff_read_spin(id=exp_id, spin_id=cur_spin_id, > file=file_name, dir=ds.tmpdir, disp_point_col=1, data_col=2, error_col=3) > + relax_disp.r2eff_read_spin(id=exp_id, spin_id=cur_spin_id, > file=file_name, dir=ds.resdir, disp_point_col=1, data_col=2, error_col=3) > > # Add to counter. > i += 1 > @@ -296,20 +300,24 @@ > set_r2_frq = set_r2[key] > frq = float(key.split(EXP_TYPE_CPMG_SQ+' - > ')[-1].split('MHz')[0]) > rel_change = sqrt( (min_r2_frq - > set_r2_frq)**2/(min_r2_frq)**2 ) > - print("%s %s %s %s %.1f GRID=%.3f MIN=%.3f SET=%.3f > RELC=%.3f"%(cur_spin.model, res_name, cur_spin_id, mo_param, frq, > grid_r2_frq, min_r2_frq, set_r2_frq, rel_change) ) > + if ds.print_res: > + print("%s %s %s %s %.1f GRID=%.3f MIN=%.3f SET=%.3f > RELC=%.3f"%(cur_spin.model, res_name, cur_spin_id, mo_param, frq, > grid_r2_frq, min_r2_frq, set_r2_frq, rel_change) ) > if rel_change > ds.rel_change: > - print("WARNING: rel change level is above %.2f, and is > %.4f."%(ds.rel_change, rel_change)) > - print("###################################") > + if ds.print_res: > + print("WARNING: rel change level is above %.2f, and > is %.4f."%(ds.rel_change, rel_change)) > + print("###################################") > else: > grid_val = grid_params[mo_param] > min_val = min_params[mo_param] > set_val = params[mo_param] > rel_change = sqrt( (min_val - set_val)**2/(min_val)**2 ) > - print("%s %s %s %s GRID=%.3f MIN=%.3f SET=%.3f > RELC=%.3f"%(cur_spin.model, res_name, cur_spin_id, mo_param, grid_val, > min_val, set_val, rel_change) ) > + if ds.print_res: > + print("%s %s %s %s GRID=%.3f MIN=%.3f SET=%.3f > RELC=%.3f"%(cur_spin.model, res_name, cur_spin_id, mo_param, grid_val, > min_val, set_val, rel_change) ) > if rel_change > ds.rel_change: > - print("WARNING: rel change level is above %.2f, and is > %.4f."%(ds.rel_change, rel_change)) > - print("###################################") > + if ds.print_res: > + print("WARNING: rel change level is above %.2f, and is > %.4f."%(ds.rel_change, rel_change)) > + print("###################################") > > # Plot curves. > if ds.plot_curves: > - relax_disp.plot_disp_curves(dir=ds.tmpdir, force=True) > + relax_disp.plot_disp_curves(dir=ds.resdir, force=True) > > > _______________________________________________ > 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
