source: sasmodels/example/sesans_parameters_sphere.py @ d8f22db

Last change on this file since d8f22db was 9217ef8, checked in by Paul Kienzle <pkienzle@…>, 9 years ago

add data saving to sesansfit; nicer errors when parameters don't exist

  • Property mode set to 100644
File size: 1.2 KB
RevLine 
[a98958b]1"""
2This is a data file  used to load in sesans data and fit it using the bumps engine
3"""
4from bumps.names import *
5
6import sesansfit
7
8# Enter the model name to use
9model_name = "sphere"
10
[84db7a5]11# DO NOT MODIFY THIS LINE
12model = sesansfit.get_bumps_model(model_name)
[fa902d4]13model.radius.range(1,10000)
[84db7a5]14
[a98958b]15# Enter any custom parameters
[84db7a5]16# name = Parameter(initial_value, name='name')
[a98958b]17phi = Parameter(0.10, name='phi')
[84db7a5]18# Add the parameters to this list that should be displayed in the fitting window
[a98958b]19custom_params = {"phi" : phi}
20
[84db7a5]21# SESANS data file name
[a98958b]22sesans_file = "sphere.ses"
23
24# Initial parameter values (if other than defaults)
[84db7a5]25# "model_parameter_name" : value
[a98958b]26initial_vals = {
27    "sld" : 7.0,
28    "radius" : 1000,
[9217ef8]29    "sld_solvent" : 1.0,
[a98958b]30}
31
32# Ranges for parameters if other than default
[84db7a5]33# "model_parameter_name" : [min, max]
[a98958b]34param_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
43model.scale = phi*(1-phi)
44
[a98958b]45# Send to the fitting engine
[84db7a5]46# DO NOT MODIFY THIS LINE
47problem = sesansfit.sesans_fit(sesans_file, model, initial_vals, custom_params, param_range)
48
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