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
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Last change
on this file since 7945367 was
1d115ef,
checked in by butler, 9 years ago
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fix parameter name - was scale now is FractalExp? as it should be. This
model has two scale parameters: one for the Guinier term and one for the
Lorentz term. The fractal exponent D (used in the Lorentz term) was
cofusingly labeled scale in the gui.
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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]=FractalExp= 2 |
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| 36 | Parameter FractalExp; |
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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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