Changeset 2a12351b in sasmodels for explore/beta/sasfit_compare.py


Ignore:
Timestamp:
Aug 22, 2018 1:27:12 PM (6 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
d277229, 33d7be3
Parents:
5399809
Message:

update explore/beta/sasfit_compare to new kernel results interface

File:
1 edited

Legend:

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  • explore/beta/sasfit_compare.py

    r7b0abf8 r2a12351b  
    208208    F1, F2 = np.zeros_like(q), np.zeros_like(q) 
    209209    for k, Rpk in enumerate(Rp_val): 
     210        print("ellipsoid cycle", k, "of", len(Rp_val)) 
    210211        for i, Rei in enumerate(Re_val): 
    211212            theory = ellipsoid_theta(q, Rpk, Rei, sld, sld_solvent) 
     
    343344    #Sq = Iq/Pq 
    344345    #Iq = None#= Sq = None 
    345     r = I._kernel.results 
    346     return Theory(Q=q, F1=None, F2=None, P=Pq, S=None, I=None, Seff=r[1], Ibeta=Iq) 
     346    r = dict(I._kernel.results()) 
     347    return Theory(Q=q, F1=None, F2=None, P=Pq, S=None, I=None, Seff=r["S_eff(Q)"], Ibeta=Iq) 
    347348 
    348349def compare(title, target, actual, fields='F1 F2 P S I Seff Ibeta'): 
     
    401402        radius_polar=20, radius_equatorial=400, sld=4, sld_solvent=1, 
    402403        background=0, 
    403         radius_polar_pd=.1, radius_polar_pd_type=pd_type, 
    404         radius_equatorial_pd=.1, radius_equatorial_pd_type=pd_type, 
     404        radius_polar_pd=0.1, radius_polar_pd_type=pd_type, 
     405        radius_equatorial_pd=0.1, radius_equatorial_pd_type=pd_type, 
    405406        volfraction=0.15, 
    406407        radius_effective=270.7543927018, 
    407408        #radius_effective=12.59921049894873, 
    408409        ) 
    409     target = sasmodels_theory(q, model, beta_mode=1, **pars) 
     410    target = sasmodels_theory(q, model, effective_radius_mode=0, structure_factor_mode=1, **pars) 
    410411    actual = ellipsoid_pe(q, norm='sasview', **pars) 
    411412    title = " ".join(("sasmodels", model, pd_type)) 
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