source:
sasmodels/example/sesans_parameters_sphere.py
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062db5a
Last change on this file since 062db5a was fa902d4, checked in by Paul Kienzle <pkienzle@…>, 9 years ago | |
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File size: 1.2 KB |
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[a98958b] | 1 | """ |
2 | This is a data file used to load in sesans data and fit it using the bumps engine | |
3 | """ | |
4 | from bumps.names import * | |
5 | ||
6 | import sesansfit | |
7 | ||
8 | # Enter the model name to use | |
9 | model_name = "sphere" | |
10 | ||
[84db7a5] | 11 | # DO NOT MODIFY THIS LINE |
12 | model = sesansfit.get_bumps_model(model_name) | |
[fa902d4] | 13 | model.radius.range(1,10000) |
[84db7a5] | 14 | |
[a98958b] | 15 | # Enter any custom parameters |
[84db7a5] | 16 | # name = Parameter(initial_value, name='name') |
[a98958b] | 17 | phi = Parameter(0.10, name='phi') |
[84db7a5] | 18 | # Add the parameters to this list that should be displayed in the fitting window |
[a98958b] | 19 | custom_params = {"phi" : phi} |
20 | ||
[84db7a5] | 21 | # SESANS data file name |
[a98958b] | 22 | sesans_file = "sphere.ses" |
23 | ||
24 | # Initial parameter values (if other than defaults) | |
[84db7a5] | 25 | # "model_parameter_name" : value |
[a98958b] | 26 | initial_vals = { |
27 | "sld" : 7.0, | |
28 | "radius" : 1000, | |
[84db7a5] | 29 | "solvent_sld" : 1.0, |
[a98958b] | 30 | } |
31 | ||
32 | # Ranges for parameters if other than default | |
[84db7a5] | 33 | # "model_parameter_name" : [min, max] |
[a98958b] | 34 | param_range = { |
35 | "phi" : [0.001, 0.5], | |
36 | "radius" : [1, 10000] | |
37 | } | |
38 | ||
[84db7a5] | 39 | # Constraints |
40 | # model.param_name = f(other params) | |
41 | # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius and scale are model functions and phi is | |
42 | # a custom parameter | |
43 | model.scale = phi*(1-phi) | |
44 | ||
[a98958b] | 45 | # Send to the fitting engine |
[84db7a5] | 46 | # DO NOT MODIFY THIS LINE |
47 | problem = sesansfit.sesans_fit(sesans_file, model, initial_vals, custom_params, param_range) | |
48 |
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