core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 032646d 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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Rev | Line | |
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[a98958b] | 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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[84db7a5] | 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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[a98958b] | 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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[ca3abe6] | 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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[2684d45] | 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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[a98958b] | 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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[84db7a5] | 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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[a98958b] | 49 | # Send to the fitting engine |
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[84db7a5] | 50 | problem = sesansfit.sesans_fit(sesans_file, model_name, initial_vals, custom_params, param_range) |
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