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

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:

• explore/beta/sasfit_compare.py (modified) (3 diffs)

explore/beta/sasfit_compare.py

@@ -208 +208 @@
     F1, F2 = np.zeros_like(q), np.zeros_like(q)
     for k, Rpk in enumerate(Rp_val):
+        print("ellipsoid cycle", k, "of", len(Rp_val))
         for i, Rei in enumerate(Re_val):
             theory = ellipsoid_theta(q, Rpk, Rei, sld, sld_solvent)
@@ -343 +344 @@
     #Sq = Iq/Pq
     #Iq = None#= Sq = None
-    r = I._kernel.results
-    return Theory(Q=q, F1=None, F2=None, P=Pq, S=None, I=None, Seff=r[1], Ibeta=Iq)
+    r = dict(I._kernel.results())
+    return Theory(Q=q, F1=None, F2=None, P=Pq, S=None, I=None, Seff=r["S_eff(Q)"], Ibeta=Iq)
 
 def compare(title, target, actual, fields='F1 F2 P S I Seff Ibeta'):
@@ -401 +402 @@
         radius_polar=20, radius_equatorial=400, sld=4, sld_solvent=1,
         background=0,
-        radius_polar_pd=.1, radius_polar_pd_type=pd_type,
-        radius_equatorial_pd=.1, radius_equatorial_pd_type=pd_type,
+        radius_polar_pd=0.1, radius_polar_pd_type=pd_type,
+        radius_equatorial_pd=0.1, radius_equatorial_pd_type=pd_type,
         volfraction=0.15,
         radius_effective=270.7543927018,
         #radius_effective=12.59921049894873,
         )
-    target = sasmodels_theory(q, model, beta_mode=1, **pars)
+    target = sasmodels_theory(q, model, effective_radius_mode=0, structure_factor_mode=1, **pars)
     actual = ellipsoid_pe(q, norm='sasview', **pars)
     title = " ".join(("sasmodels", model, pd_type))