core_shell_microgelscostrafo411magnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since bdd08df was
9217ef8,
checked in by Paul Kienzle <pkienzle@…>, 9 years ago
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add data saving to sesansfit; nicer errors when parameters don't exist
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-
Property mode set to
100644
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File size:
1.2 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 = "sphere" |
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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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[fa902d4] | 13 | model.radius.range(1,10000) |
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[84db7a5] | 14 | |
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[a98958b] | 15 | # Enter any custom parameters |
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[84db7a5] | 16 | # name = Parameter(initial_value, name='name') |
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[a98958b] | 17 | phi = Parameter(0.10, name='phi') |
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[84db7a5] | 18 | # Add the parameters to this list that should be displayed in the fitting window |
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[a98958b] | 19 | custom_params = {"phi" : phi} |
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| 20 | |
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[84db7a5] | 21 | # SESANS data file name |
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[a98958b] | 22 | sesans_file = "sphere.ses" |
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| 23 | |
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| 24 | # Initial parameter values (if other than defaults) |
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[84db7a5] | 25 | # "model_parameter_name" : value |
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[a98958b] | 26 | initial_vals = { |
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| 27 | "sld" : 7.0, |
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| 28 | "radius" : 1000, |
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[9217ef8] | 29 | "sld_solvent" : 1.0, |
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[a98958b] | 30 | } |
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| 31 | |
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| 32 | # Ranges for parameters if other than default |
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[84db7a5] | 33 | # "model_parameter_name" : [min, max] |
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[a98958b] | 34 | param_range = { |
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| 35 | "phi" : [0.001, 0.5], |
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| 36 | "radius" : [1, 10000] |
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| 37 | } |
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| 38 | |
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[84db7a5] | 39 | # Constraints |
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| 40 | # model.param_name = f(other params) |
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| 41 | # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius and scale are model functions and phi is |
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| 42 | # a custom parameter |
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| 43 | model.scale = phi*(1-phi) |
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| 44 | |
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[a98958b] | 45 | # Send to the fitting engine |
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[84db7a5] | 46 | # DO NOT MODIFY THIS LINE |
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| 47 | problem = sesansfit.sesans_fit(sesans_file, model, initial_vals, custom_params, param_range) |
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| 48 | |
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