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Last change
on this file since 7dfdd56 was
6319646,
checked in by Jae Cho <jhjcho@…>, 13 years ago
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new includes for scale fix for P*S
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-
Property mode set to
100644
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File size:
1.2 KB
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1 | #if !defined(polygausscoil_h) |
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2 | #define polygausscoil_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 sphere parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = Poly_GaussCoil |
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9 | //[DISP_PARAMS] = rg |
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10 | //[DESCRIPTION] =<text>I(q)=(scale)*2*[(1+U*x)^(-1/U)+x-1]/[(1+U)*x^2] + background |
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11 | // where x = [rg^2*q^2] |
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12 | // and the polydispersity is |
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13 | // U = [M_w/M_n]-1. |
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14 | // scale = scale factor * volume fraction |
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15 | // rg = radius of gyration |
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16 | // poly_m = polydispersity of molecular weight |
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17 | // background = incoherent background |
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18 | // </text> |
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19 | //[FIXED]= |
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20 | //[ORIENTATION_PARAMS]= <text> </text> |
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21 | |
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22 | class Poly_GaussCoil{ |
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23 | public: |
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24 | // Model parameters |
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25 | /// Radius of gyration [A] |
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26 | // [DEFAULT]=rg=60.0 [A] |
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27 | Parameter rg; |
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28 | |
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29 | /// Scale factor |
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30 | // [DEFAULT]=scale= 1.0 |
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31 | Parameter scale; |
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32 | |
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33 | /// polydispersity of molecular weight |
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34 | // [DEFAULT]=poly_m= 2.0 [Mw/Mn] |
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35 | Parameter poly_m; |
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36 | |
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37 | /// Incoherent Background [1/cm] |
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38 | // [DEFAULT]=background=0.001 [1/cm] |
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39 | Parameter background; |
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40 | |
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41 | // Constructor |
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42 | Poly_GaussCoil(); |
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43 | |
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44 | // Operators to get I(Q) |
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45 | double operator()(double q); |
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46 | double operator()(double qx, double qy); |
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47 | double calculate_ER(); |
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48 | double calculate_VR(); |
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49 | double evaluate_rphi(double q, double phi); |
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50 | }; |
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51 | |
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52 | #endif |
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