Hi Troels, This is not very important, but the "String flag" text in the docstring is not technically correct. Flags in programming are binary values (https://en.wikipedia.org/wiki/Flag_word). I.e. in Python this would be [0, 1] or [Tree, False]. Don't worry about changing this, but it is useful to know the exact meaning.
Regards, Edward On 29 July 2014 10:24, <[email protected]> wrote: > Author: tlinnet > Date: Tue Jul 29 10:24:53 2014 > New Revision: 24790 > > URL: http://svn.gna.org/viewcvs/relax?rev=24790&view=rev > Log: > Preparation to interpolate through the offset to plot R1rho as function of > theta, interpolated through spin-lock offset. > > sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho > analysis with R2_eff as function of Omega_eff. > sr #3138(https://gna.org/support/?3138): Interpolating theta through > spin-lock offset [Omega], rather than spin-lock field strength [w1]. > > Modified: > branches/r1rho_plotting/specific_analyses/relax_disp/data.py > > Modified: branches/r1rho_plotting/specific_analyses/relax_disp/data.py > URL: > http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/specific_analyses/relax_disp/data.py?rev=24790&r1=24789&r2=24790&view=diff > ============================================================================== > --- branches/r1rho_plotting/specific_analyses/relax_disp/data.py > (original) > +++ branches/r1rho_plotting/specific_analyses/relax_disp/data.py Tue > Jul 29 10:24:53 2014 > @@ -1790,7 +1790,7 @@ > file_name_ini = "r1rho_as_func_of_theta_inter_offset" > x_axis = "theta" > interpolate = "offset" > - > plot_disp_curves_r1rho_r2_as_func_of_rot_param(file_name_ini=file_name_ini, > dir=dir, x_axis=x_axis, interpolate=interpolate, num_points=num_points, > extend=extend, force=force, proton_mmq_flag=proton_mmq_flag, > colour_order=colour_order) > + > #plot_disp_curves_r1rho_r2_as_func_of_rot_param(file_name_ini=file_name_ini, > dir=dir, x_axis=x_axis, interpolate=interpolate, num_points=num_points, > extend=extend, force=force, proton_mmq_flag=proton_mmq_flag, > colour_order=colour_order) > > # Write a python "grace to PNG/EPS/SVG..." conversion script. > # Open the file for writing. > @@ -1941,7 +1941,7 @@ > @type dir: str > @keyword x_axis: String flag to tell which X axis to plot > for. Can be either "w_eff" or "theta". > @type x_axis: str > - @keyword interploate: String flag to tell which data type to > interpolate for. Can be either "disp" or "offset". > + @keyword interpolate: String flag to tell which data type to > interpolate for. Can be either "disp" or "offset". > @type interpolate: str > @keyword num_points: The number of points to generate the > interpolated fitted curves with. > @type num_points: int > @@ -1982,8 +1982,16 @@ > file_name = "%s%s.agr" % (file_name_ini, spin_id.replace('#', > '_').replace(':', '_').replace('@', '_')) > > if not spin.model in [MODEL_R2EFF]: > - # Interpolate through disp points. > - interpolated_flag, back_calc, cpmg_frqs_new, spin_lock_nu1_new, > chemical_shifts, spin_lock_fields_inter, offsets_inter, tilt_angles_inter, > Delta_omega_inter, w_eff_inter = interpolate_disp(spin=spin, spin_id=spin_id, > si=si, num_points=num_points, extend=extend) > + if interpolate == "disp": > + # Interpolate through disp points. > + interpolated_flag, back_calc, cpmg_frqs_new, > spin_lock_nu1_new, chemical_shifts, spin_lock_fields_inter, offsets_inter, > tilt_angles_inter, Delta_omega_inter, w_eff_inter = > interpolate_disp(spin=spin, spin_id=spin_id, si=si, num_points=num_points, > extend=extend) > + > + if interpolate == "offset": > + # Interpolate through disp points. > + interpolated_flag, back_calc, spin_lock_offset_new, > chemical_shifts, spin_lock_fields_inter, offsets_inter, tilt_angles_inter, > Delta_omega_inter, w_eff_inter = interpolate_offset(spin=spin, > spin_id=spin_id, si=si, num_points=num_points, extend=extend) > + > + # The spin_lock field interpolated through each offset. > + spin_lock_nu1_new = spin_lock_fields_inter > > else: > back_calc = None > @@ -2030,7 +2038,7 @@ > current_spin = proton > > # Loop over the spectrometer frequencies and offsets. > - err, data, set_labels, set_colours, x_axis_type_zero, symbols, > symbol_sizes, linetype, linestyle, axis_labels = > return_grace_data_r1rho_r2_as_func_of_rot_param(x_axis=x_axis, > exp_type=exp_type, ei=ei, current_spin=current_spin, spin_id=spin_id, si=si, > back_calc=back_calc, spin_lock_nu1_new=spin_lock_nu1_new, > chemical_shifts=chemical_shifts, tilt_angles_inter=tilt_angles_inter, > Delta_omega_inter=Delta_omega_inter, w_eff_inter=w_eff_inter, > interpolated_flag=interpolated_flag, graph_index=graph_index, > colour_order=colour_order, data=data, set_labels=set_labels, > set_colours=set_colours, x_axis_type_zero=x_axis_type_zero, symbols=symbols, > symbol_sizes=symbol_sizes, linetype=linetype, linestyle=linestyle, > axis_labels=axis_labels) > + err, data, set_labels, set_colours, x_axis_type_zero, symbols, > symbol_sizes, linetype, linestyle, axis_labels = > return_grace_data_r1rho_r2_as_func_of_rot_param(x_axis=x_axis, > exp_type=exp_type, ei=ei, current_spin=current_spin, spin_id=spin_id, si=si, > back_calc=back_calc, spin_lock_nu1_new=spin_lock_nu1_new, > chemical_shifts=chemical_shifts, offsets_inter=offsets_inter, > tilt_angles_inter=tilt_angles_inter, Delta_omega_inter=Delta_omega_inter, > w_eff_inter=w_eff_inter, interpolated_flag=interpolated_flag, > graph_index=graph_index, colour_order=colour_order, data=data, > set_labels=set_labels, set_colours=set_colours, > x_axis_type_zero=x_axis_type_zero, symbols=symbols, > symbol_sizes=symbol_sizes, linetype=linetype, linestyle=linestyle, > axis_labels=axis_labels) > > # Increment the graph index. > graph_index += 1 > @@ -2750,7 +2758,7 @@ > return array(cpmg_frqs, float64) > > > -def return_grace_data_r1rho_r2_as_func_of_rot_param(x_axis=None, > exp_type=None, ei=None, current_spin=None, spin_id=None, si=None, > back_calc=None, spin_lock_nu1_new=None, chemical_shifts=None, > spin_lock_fields_inter=None, offsets_inter=None, tilt_angles_inter=None, > Delta_omega_inter=None, w_eff_inter=None, interpolated_flag=None, > graph_index=None, colour_order=None, data=None, set_labels=None, > set_colours=None, x_axis_type_zero=None, symbols=None, symbol_sizes=None, > linetype=None, linestyle=None, axis_labels=None): > +def return_grace_data_r1rho_r2_as_func_of_rot_param(x_axis=None, > exp_type=None, ei=None, current_spin=None, spin_id=None, si=None, > back_calc=None, spin_lock_nu1_new=None, chemical_shifts=None, > offsets_inter=None, tilt_angles_inter=None, Delta_omega_inter=None, > w_eff_inter=None, interpolated_flag=None, graph_index=None, > colour_order=None, data=None, set_labels=None, set_colours=None, > x_axis_type_zero=None, symbols=None, symbol_sizes=None, linetype=None, > linestyle=None, axis_labels=None): > """Return data in lists for 2D Grace plotting function, to prepate > plotting R1rho R2 as function of effective field in rotating frame w_eff. > > @keyword x_axis: String flag to tell which X axis to > plot for. > @@ -2771,6 +2779,8 @@ > @type spin_lock_nu1_new: rank-3 list of floats > @keyword chemical_shifts: The chemical shifts in rad/s {Ei, > Si, Mi} > @type chemical_shifts: rank-3 list of floats > + @keyword offsets_inter: Interpolated spin-lock offsets in > rad/s {Ei, Si, Mi, Oi} > + @type offsets_inter: rank-3 list of numpy rank-1 float > arrays > @keyword tilt_angles_inter: The interpolated rotating frame tilt > angles {Ei, Si, Mi, Oi, Di} > @type tilt_angles_inter: rank-5 list of floats > @keyword Delta_omega_inter: The interpolated average resonance > offset in the rotating frame in rad/s {Ei, Si, Mi, Oi, Di} > > > _______________________________________________ > 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
