source: sasmodels/sasmodels/models/polymer_micelle.py @ 6cefbc9

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Last change on this file since 6cefbc9 was 40a87fa, checked in by Paul Kienzle <pkienzle@…>, 8 years ago

lint and latex cleanup

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Line 
1r"""
2
3This model provides the form factor, $P(q)$, for a micelle with a spherical
4core and Gaussian polymer chains attached to the surface, thus may be applied
5to block copolymer micelles. To work well the Gaussian chains must be much
6smaller than the core, which is often not the case.  Please study the
7reference carefully.
8
9Definition
10----------
11
12The 1D scattering intensity for this model is calculated according to
13the equations given by Pedersen (Pedersen, 2000).
14
15Validation
16----------
17
18This model has not yet been validated. Feb2015
19
20
21References
22----------
23
24J Pedersen, *J. Appl. Cryst.*, 33 (2000) 637-640
25
26"""
27
28from numpy import inf
29
30name = "polymer_micelle"
31title = "Polymer micelle model"
32description = """
33    This model provides an approximate form factor, P(q), for a micelle with
34    a spherical core with Gaussian polymer chains attached to the surface.
35    """
36category = "shape:sphere"
37
38# pylint: disable=bad-whitespace, line-too-long
39#   ["name", "units", default, [lower, upper], "type","description"],
40parameters = [
41    ["ndensity",      "1e15/cm^3",  8.94, [0.0, inf], "", "Number density of micelles"],
42    ["v_core",        "Ang^3",  62624.0,  [0.0, inf], "", "Core volume "],
43    ["v_corona",      "Ang^3",  61940.0,  [0.0, inf], "", "Corona volume"],
44    ["sld_solvent",   "1e-6/Ang^2", 6.4,  [0.0, inf], "sld", "Solvent scattering length density"],
45    ["sld_core",      "1e-6/Ang^2", 0.34, [0.0, inf], "sld", "Core scattering length density"],
46    ["sld_corona",    "1e-6/Ang^2", 0.8,  [0.0, inf], "sld", "Corona scattering length density"],
47    ["radius_core",   "Ang",       45.0,  [0.0, inf], "", "Radius of core ( must be >> radius_gyr )"],
48    ["radius_gyr",    "Ang",       20.0,  [0.0, inf], "", "Radius of gyration of chains in corona"],
49    ["d_penetration", "",           1.0,  [-inf, inf], "", "Factor to mimic non-penetration of Gaussian chains"],
50    ["n_aggreg",      "",           6.0,  [-inf, inf], "", "Aggregation number of the micelle"],
51    ]
52# pylint: enable=bad-whitespace, line-too-long
53
54single = False
55
56source = ["lib/sph_j1c.c", "polymer_micelle_kernel.c"]
57
58demo = dict(scale=1, background=0,
59            ndensity=8.94,
60            v_core=62624.0,
61            v_corona=61940.0,
62            sld_solvent=6.4,
63            sld_core=0.34,
64            sld_corona=0.8,
65            radius_core=45.0,
66            radius_gyr=20.0,
67            d_penetration=1.0,
68            n_aggreg=6.0)
69
70
71tests = [
72    [{}, 0.01, 15.3532],
73    ]
74# RKH 20Mar2016 - need to check whether the core & corona volumes are per
75#                 monomer ??? and how aggregation number works!
76# renamed from micelle_spherical_core to polymer_micelle,
77# moved from shape-independent to spheres section.
78# Ought to be able to add polydisp to core? And add ability to x by S(Q) ?
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