Here I would recommend listing the dimensions for w_e in the docstring for the return value. That allows future users of the method to know what the structure of w_e they should expect.
Cheers, Edward On 7 March 2014 13:21, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Fri Mar 7 13:21:30 2014 > New Revision: 22438 > > URL: http://svn.gna.org/viewcvs/relax?rev=22438&view=rev > Log: > Made specific_analysis.relax_disp.return_offset_data return "w_eff" - the > effective field in rotating frame in rad/s. > > Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs > production for R1rho analysis with R2_eff as function of Omega_eff. > > Modified: > trunk/specific_analyses/relax_disp/disp_data.py > > Modified: trunk/specific_analyses/relax_disp/disp_data.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/disp_data.py?rev=22438&r1=22437&r2=22438&view=diff > ============================================================================== > --- trunk/specific_analyses/relax_disp/disp_data.py (original) > +++ trunk/specific_analyses/relax_disp/disp_data.py Fri Mar 7 13:21:30 > 2014 > @@ -2686,7 +2686,7 @@ > @type field_count: int > @keyword fields: The spin-lock field strengths to use instead of > the user loaded values - to enable interpolation. The dimensions are {Ei, > Mi}. > @type fields: rank-2 list of floats > - @return: The numpy array structures of the chemical > shifts in rad/s {Ei, Si, Mi}, spin-lock offsets in rad/s {Ei, Si, Mi, Oi}, > rotating frame tilt angles {Ei, Si, Mi, Oi, Di} and the average resonance > offset in the rotating frame {Ei, Si, Mi, Oi, Di} in rad/s. > + @return: The numpy array structures of the chemical > shifts in rad/s {Ei, Si, Mi}, spin-lock offsets in rad/s {Ei, Si, Mi, Oi}, > rotating frame tilt angles {Ei, Si, Mi, Oi, Di}, the average resonance offset > in the rotating frame {Ei, Si, Mi, Oi, Di} in rad/s and the effective field > in rotating frame in rad/s. > @rtype: rank-3 list of floats, rank-4 list of floats, > rank-5 list of floats > """ > > @@ -2703,25 +2703,30 @@ > offsets = [] > theta = [] > Domega = [] > + w_e = [] > for exp_type, ei in loop_exp(return_indices=True): > shifts.append([]) > offsets.append([]) > theta.append([]) > Domega.append([]) > + w_e.append([]) > for si in range(spin_num): > shifts[ei].append([]) > offsets[ei].append([]) > theta[ei].append([]) > Domega[ei].append([]) > + w_e[ei].append([]) > for frq, mi in loop_frq(return_indices=True): > shifts[ei][si].append(None) > offsets[ei][si].append([]) > theta[ei][si].append([]) > Domega[ei][si].append([]) > + w_e[ei][si].append([]) > for offset, oi in loop_offset(exp_type=exp_type, frq=frq, > return_indices=True): > offsets[ei][si][mi].append(None) > theta[ei][si][mi].append([]) > Domega[ei][si][mi].append([]) > + w_e[ei][si][mi].append([]) > > # Assemble the data. > data_flag = False > @@ -2817,6 +2822,10 @@ > else: > theta[ei][si][mi][oi].append(atan(omega1 / Delta_omega)) > > + # Calculate effective field in rotating frame > + w_eff = sqrt( Delta_omega*Delta_omega + omega1*omega1 ) > + w_e[ei][si][mi][oi].append(w_eff) > + > # Increment the spin index. > si += 1 > > @@ -2831,7 +2840,7 @@ > # theta[ei][si][mi] = array(theta[ei][si][mi], float64) > > # Return the structures. > - return shifts, offsets, theta, Domega > + return shifts, offsets, theta, Domega, w_e > > > def return_param_key_from_data(exp_type=None, frq=0.0, offset=0.0, > point=0.0): > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > relax-comm...@gna.org > > 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 relax-devel@gna.org 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
