core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 16afd49 was
a98958b,
checked in by krzywon, 9 years ago
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Good progress on SESANS scripting.
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-
Property mode set to
100644
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File size:
943 bytes
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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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| 11 | # Enter any custom parameters |
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| 12 | phi = Parameter(0.45, name='phi') |
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| 13 | pen = Parameter(0.95, name='solvent penetration') |
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| 14 | custom_params = {"phi" : phi, "pen" : pen} |
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| 15 | |
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| 16 | # SESANS data file |
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| 17 | sesans_file = "core_shell.ses" |
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| 18 | |
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| 19 | # Initial parameter values (if other than defaults) |
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| 20 | initial_vals = { |
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| 21 | "scale" : 0.09, |
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| 22 | "core_sld" : 1.0592, |
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| 23 | "solvent_sld" : 2.88, |
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| 24 | "shell_sld" : 2.88, |
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| 25 | "radius" : 890, |
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| 26 | "thickness" : 130, |
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| 27 | "volfraction" : 0.45 |
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| 28 | } |
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| 29 | |
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| 30 | # Ranges for parameters if other than default |
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| 31 | param_range = { |
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| 32 | "phi" : [0.2, 0.5], |
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| 33 | "pen" : [0,1], |
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| 34 | "radius" : [500, 3000], |
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| 35 | "thickness" : [0,200] |
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| 36 | } |
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| 37 | |
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| 38 | # Send to the fitting engine |
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| 39 | problem = sesansfit.sesans_fit(sesans_file, model_name, initial_vals, custom_params, param_range) |
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