ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change
on this file since 6057915 was
0da4eba,
checked in by Robert Whitley <robert.whitley@…>, 12 years ago
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Refs #84. Add Gel Fit model.
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Property mode set to
100644
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File size:
1.1 KB
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1 | #if !defined(GelFit_h) |
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2 | #define GelFit_h |
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3 | #include "parameters.hh" |
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4 | |
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5 | /** |
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6 | * Structure definition for GelFitModel (factor) parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = GelFitModel |
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9 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
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10 | // Shibayama-Geissler Two-Length Scale Fit for Gels |
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11 | // (GelFit) |
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12 | // |
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13 | // Sibayama; Tanaka; Han J Chem Phys(1992), 97(9), 6829-6841 |
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14 | // Mallam; Horkay; Hecht; Rennie; Geissler, Macromol(1991), 24, 543 |
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15 | // </text> |
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16 | |
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17 | class GelFitModel{ |
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18 | public: |
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19 | |
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20 | // Model parameters |
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21 | |
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22 | /// Something lScale |
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23 | // [DEFAULT]=lScale= 3.5 |
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24 | Parameter lScale; |
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25 | |
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26 | // [DEFAULT]=gScale= 1.7 |
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27 | Parameter gScale; |
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28 | |
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29 | // [DEFAULT]=zeta= 16 |
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30 | Parameter zeta; |
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31 | |
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32 | // [DEFAULT]=radius= 104 |
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33 | Parameter radius; |
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34 | |
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35 | // [DEFAULT]=scale= 2 |
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36 | Parameter scale; |
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37 | |
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38 | // [DEFAULT]=background= 0.01 |
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39 | Parameter background; |
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40 | |
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41 | |
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42 | // Constructor |
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43 | GelFitModel(); |
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44 | |
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45 | // Operators to get I(Q) |
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46 | double operator()(double q); |
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47 | double operator()(double qx, double qy); |
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48 | double calculate_ER(); |
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49 | double calculate_VR(); |
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50 | double evaluate_rphi(double q, double phi); |
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51 | }; |
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52 | |
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53 | #endif |
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