import sys #sys.path.append('path_to_sasmodels') import numpy as np from bumps.names import * from sasmodels.core import load_model from sasmodels.bumps_model import Model, Experiment from sasmodels.data import load_data, plot_data # IMPORT THE DATA USED data = load_data(sys.argv[1]) #setattr(data, 'qmin', 0.0) #setattr(data, 'qmax', 10.0) # DEFINE THE MODEL kernel = load_model('ellipsoid*hayter_msa') pars = dict(scale=6.4, background=0.06, sld=0.33, sld_solvent=2.15, radius_polar=14.0, radius_equatorial=24.0, volfraction=0.075, charge=66.373, temperature=298.0, concentration_salt=0.001, dielectconst=71.0) model = Model(kernel, **pars) # PARAMETER RANGES (ONLY THOSE PARAMETERS ARE FITTED) model.scale.range(0, inf) model.background.range(-inf, inf) #model.sld.range(-inf, inf) model.sld_solvent.range(-inf, inf) #model.radius_polar.range(0, inf) #model.radius_equatorial.range(0, inf) #model.volfraction.range(0,0.74) #model.charge.range(0, inf) #model.temperature.range(0,1000) #model.concentration_salt.range(0, 1) #model.dielectconst.range(0,inf) M = Experiment(data=data, model=model) problem = FitProblem(M)