1 | #!/usr/bin/env python |
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2 | # -*- coding: utf-8 -*- |
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3 | |
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4 | # To Sasview/documents/scripts |
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5 | |
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6 | import sys |
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7 | #sys.path.append('path_to_sasmodels') |
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8 | |
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9 | from bumps.names import * |
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10 | from sasmodels.core import load_model |
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11 | from sasmodels.bumps_model import Model, Experiment |
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12 | from sasmodels.data import load_data, plot_data |
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13 | import numpy as np |
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14 | import matplotlib.pyplot as plt |
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15 | |
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16 | |
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17 | """ IMPORT THE DATA USED """ |
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18 | data = load_data('data.txt') |
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19 | |
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20 | #setattr(data, 'qmin', 0.0) |
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21 | #setattr(data, 'qmax', 10.0) |
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22 | |
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23 | """ DEFINE THE MODEL """ |
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24 | kernel = load_model('ellipsoid*hayter_msa', dtype="double") |
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25 | |
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26 | pars = dict(scale=6.4, background=0.06, sld=0.33, sld_solvent=2.15, radius_polar=14.0, |
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27 | radius_equatorial=24.0, volfraction=0.075, charge=66.373, temperature=298.0, |
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28 | concentration_salt=0.001, dielectconst=71.0) |
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29 | |
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30 | model = Model(kernel, **pars) |
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31 | |
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32 | """ PARAMETER RANGES (ONLY THOSE PARAMETERS ARE FITTED) """ |
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33 | model.scale.range(0, inf) |
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34 | model.background.range(-inf, inf) |
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35 | #model.sld.range(-inf, inf) |
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36 | model.sld_solvent.range(-inf, inf) |
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37 | #model.radius_polar.range(0, inf) |
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38 | #model.radius_equatorial.range(0, inf) |
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39 | #model.volfraction.range(0,0.74) |
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40 | #model.charge.range(0, inf) |
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41 | #model.temperature.range(0,1000) |
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42 | #model.concentration_salt.range(0, 1) |
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43 | #model.dielectconst.range(0,inf) |
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44 | |
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45 | |
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46 | M = Experiment(data=data, model=model) |
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47 | |
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48 | problem = FitProblem(M) |
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49 | |
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