1 | #if !defined(o_h) |
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2 | #define pearl_necklace_h |
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3 | |
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4 | /** |
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5 | * Structure definition for sphere parameters |
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6 | */ |
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7 | //[PYTHONCLASS] = PearlNecklaceModel |
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8 | //[DISP_PARAMS] = radius, edge_separation |
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9 | //[DESCRIPTION] =<text>Calculate form factor for Pearl Necklace Model |
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10 | // [Macromol. Symp. 2004, 211, 25-42] |
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11 | // Parameters: |
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12 | // background:background |
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13 | // scale: scale factor |
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14 | // sld_pearl: the SLD of the pearl spheres |
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15 | // sld_string: the SLD of the strings |
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16 | // sld_solv: the SLD of the solvent |
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17 | // num_pearls: number of the pearls |
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18 | // radius: the radius of a pearl |
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19 | // edge_separation: the length of string segment; surface to surface |
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20 | // thick_string: thickness (ie, diameter) of the string |
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21 | // </text> |
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22 | //[FIXED]= <text>radius.width; edge_separation.width</text> |
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23 | //[NON_FITTABLE_PARAMS]= <text></text> |
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24 | //[ORIENTATION_PARAMS]= <text> </text> |
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25 | |
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26 | typedef struct { |
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27 | /// Scale factor |
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28 | // [DEFAULT]=scale= 1.0 |
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29 | double scale; |
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30 | /// radius [A] |
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31 | // [DEFAULT]=radius=80.0 [A] |
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32 | double radius; |
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33 | /// edge_separation |
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34 | // [DEFAULT]=edge_separation= 350 [A] |
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35 | double edge_separation; |
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36 | /// thick_string [A] |
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37 | // [DEFAULT]=thick_string= 2.5 [A] |
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38 | double thick_string; |
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39 | /// num_pearls |
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40 | // [DEFAULT]=num_pearls= 3 |
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41 | double num_pearls; |
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42 | /// sld_pearl |
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43 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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44 | double sld_pearl; |
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45 | /// sld_string |
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46 | // [DEFAULT]=sld_string= 1.0e-06 [1/A^(2)] |
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47 | double sld_string; |
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48 | /// sld_solv |
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49 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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50 | double sld_solv; |
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51 | /// Background |
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52 | // [DEFAULT]=background=0 |
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53 | double background; |
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54 | |
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55 | }PeralNecklaceParameters; |
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56 | |
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57 | double pearl_necklace_kernel(double dq[], double q); |
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58 | |
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59 | /// 1D scattering function |
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60 | double pearl_necklace_analytical_1D(PeralNecklaceParameters *pars, double q); |
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61 | |
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62 | /// 2D scattering function |
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63 | double pearl_necklace_analytical_2D(PeralNecklaceParameters *pars, double q, double phi); |
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64 | double pearl_necklace_analytical_2DXY(PeralNecklaceParameters *pars, double qx, double qy); |
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65 | |
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66 | #endif |
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