core_shell_microgelscostrafo411magnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since e09d1e0 was
ca3abe6,
checked in by awashington, 9 years ago
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Improve parameters for sesans core shell example
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Property mode set to
100644
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File size:
1.3 KB
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1 | """ |
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2 | This is a data file used to load in sesans data and fit it using the bumps engine |
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3 | """ |
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4 | from bumps.names import * |
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5 | |
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6 | import sesansfit |
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7 | |
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8 | # Enter the model name to use |
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9 | model_name = "core_shell_sphere*hardsphere" |
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10 | |
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11 | # DO NOT MODIFY THIS LINE |
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12 | model = sesansfit.get_bumps_model(model_name) |
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13 | |
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14 | # Enter any custom parameters |
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15 | phi = Parameter(0.45, name='phi') |
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16 | pen = Parameter(0.95, name='solvent penetration') |
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17 | custom_params = {"phi" : phi, "pen" : pen} |
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18 | |
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19 | # SESANS data file |
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20 | sesans_file = "core_shell.ses" |
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21 | |
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22 | # Initial parameter values (if other than defaults) |
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23 | initial_vals = { |
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24 | "sld_core" : 1.05, |
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25 | "sld_shell" : 2.88*pen-0.05*(1-pen), |
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26 | "sld_solvent" : 2.88, |
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27 | "radius" : 730, |
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28 | "thickness" : 20, |
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29 | "volfraction" : phi, |
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30 | "scale" : (1-phi) |
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31 | } |
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32 | |
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33 | # Ranges for parameters if other than default |
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34 | param_range = { |
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35 | "phi" : [0.2, 0.5], |
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36 | "pen" : [0,1], |
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37 | "radius" : [500, 3000], |
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38 | "thickness" : [0,200] |
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39 | } |
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40 | |
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41 | # Constraints |
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42 | # model.param_name = f(other params) |
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43 | # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius and scale are model functions and phi is |
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44 | # a custom parameter |
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45 | model.scale = phi*(1-phi) |
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46 | model.volfraction = phi |
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47 | model.shell_sld = pen*2.88 |
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48 | |
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49 | # Send to the fitting engine |
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50 | problem = sesansfit.sesans_fit(sesans_file, model_name, initial_vals, custom_params, param_range) |
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