1 | r""" |
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2 | |
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3 | This model provides the form factor, $P(q)$, for a micelle with a spherical |
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4 | core and Gaussian polymer chains attached to the surface. |
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5 | |
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6 | Definition |
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7 | ---------- |
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8 | |
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9 | The 1D scattering intensity for this model is calculated according to |
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10 | the equations given by Pedersen (Pedersen, 2000). |
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11 | |
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12 | Validation |
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13 | ---------- |
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14 | |
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15 | This model has not yet been validated. Feb2015 |
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16 | |
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17 | |
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18 | Reference |
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19 | --------- |
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20 | |
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21 | J Pedersen, *J. Appl. Cryst.*, 33 (2000) 637-640 |
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22 | |
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23 | """ |
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24 | |
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25 | from numpy import inf |
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26 | |
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27 | name = "micelle_spherical_core" |
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28 | title = "Micelle Spherical Core model" |
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29 | description = """ |
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30 | This model provides the form factor, $P(q)$, for a micelle with |
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31 | a spherical core and Gaussian polymer chains attached to the surface. |
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32 | """ |
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33 | category = "shape-independent" |
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34 | |
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35 | # pylint: disable=bad-whitespace, line-too-long |
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36 | # ["name", "units", default, [lower, upper], "type","description"], |
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37 | parameters = [ |
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38 | ["ndensity", "1e15/cm^3", 8.94, [0.0, inf], "", "Number density of micelles"], |
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39 | ["v_core", "Ang^3", 62624.0, [0.0, inf], "", "Core volume"], |
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40 | ["v_corona", "Ang^3", 61940.0, [0.0, inf], "", "Corona volume"], |
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41 | ["solvent_sld", "1e-6/Ang^2", 6.4, [0.0, inf], "", "Solvent scattering length density"], |
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42 | ["core_sld", "1e-6/Ang^2", 0.34, [0.0, inf], "", "Core scattering length density"], |
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43 | ["corona_sld", "1e-6/Ang^2", 0.8, [0.0, inf], "", "Corona scattering length density"], |
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44 | ["radius_core", "Ang", 45.0, [0.0, inf], "", "Radius of core"], |
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45 | ["radius_gyr", "Ang", 20.0, [0.0, inf], "", "Radius of gyration of chains in corona"], |
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46 | ["d_penetration", "", 1.0, [-inf, inf], "", "Factor to mimic non-penetration of Gaussian chains"], |
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47 | ["n_aggreg", "", 6.0, [-inf, inf], "", "Aggregation number of the micelle"], |
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48 | ] |
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49 | # pylint: enable=bad-whitespace, line-too-long |
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50 | |
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51 | source = ["lib/sph_j1c.c", "micelle_spherical_core.c"] |
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52 | |
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53 | demo = dict(scale=1, background=0, |
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54 | ndensity=8.94, |
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55 | v_core=62624.0, |
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56 | v_corona=61940.0, |
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57 | solvent_sld=6.4, |
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58 | core_sld=0.34, |
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59 | corona_sld=0.8, |
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60 | radius_core=45.0, |
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61 | radius_gyr=20.0, |
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62 | d_penetration=1.0, |
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63 | n_aggreg=6.0) |
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64 | |
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65 | |
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66 | oldname = 'MicelleSphCoreModel' |
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67 | oldpars = dict(solvent_sld='rho_solv', |
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68 | core_sld='rho_core', |
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69 | corona_sld='rho_corona') |
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70 | |
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71 | tests = [ |
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72 | [{}, 0.01, 15.3532], |
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73 | ] |
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