1 | real form_volume(real req_minor, real req_major, real rpolar); |
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2 | real Iq(real q, real sld, real solvent_sld, |
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3 | real req_minor, real req_major, real rpolar); |
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4 | real Iqxy(real qx, real qy, real sld, real solvent_sld, |
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5 | real req_minor, real req_major, real rpolar, real theta, real phi, real psi); |
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6 | |
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7 | real form_volume(real req_minor, real req_major, real rpolar) |
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8 | { |
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9 | return REAL(1.333333333333333)*M_PI*req_minor*req_major*rpolar; |
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10 | } |
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11 | |
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12 | real Iq(real q, |
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13 | real sld, |
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14 | real solvent_sld, |
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15 | real req_minor, |
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16 | real req_major, |
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17 | real rpolar) |
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18 | { |
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19 | // if (req_minor > req_major || req_major > rpolar) return REAL(-1.0); // Exclude invalid region |
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20 | |
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21 | real sn, cn; |
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22 | real st, ct; |
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23 | //const real lower = REAL(0.0); |
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24 | //const real upper = REAL(1.0); |
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25 | real outer = REAL(0.0); |
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26 | for (int i=0;i<76;i++) { |
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27 | //const real cos_alpha = (Gauss76Z[i]*(upper-lower) + upper + lower)/2; |
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28 | const real x = REAL(0.5)*(Gauss76Z[i] + REAL(1.0)); |
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29 | SINCOS(M_PI_2*x, sn, cn); |
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30 | const real acosx2 = req_minor*req_minor*cn*cn; |
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31 | const real bsinx2 = req_major*req_major*sn*sn; |
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32 | const real c2 = rpolar*rpolar; |
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33 | |
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34 | real inner = REAL(0.0); |
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35 | for (int j=0;j<76;j++) { |
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36 | const real y = REAL(0.5)*(Gauss76Z[j] + REAL(1.0)); |
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37 | const real t = q*sqrt(acosx2 + bsinx2*(REAL(1.0)-y*y) + c2*y*y); |
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38 | SINCOS(t, st, ct); |
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39 | const real fq = ( t==REAL(0.0) ? REAL(1.0) : REAL(3.0)*(st-t*ct)/(t*t*t) ); |
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40 | inner += Gauss76Wt[j] * fq * fq ; |
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41 | } |
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42 | outer += Gauss76Wt[i] * REAL(0.5) * inner; |
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43 | } |
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44 | //const real fq2 = (upper-lower)/2*outer; |
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45 | const real fq2 = REAL(0.5)*outer; |
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46 | const real s = (sld - solvent_sld) * form_volume(req_minor, req_major, rpolar); |
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47 | return REAL(1.0e-4) * fq2 * s * s; |
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48 | } |
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49 | |
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50 | real Iqxy(real qx, real qy, |
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51 | real sld, |
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52 | real solvent_sld, |
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53 | real req_minor, |
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54 | real req_major, |
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55 | real rpolar, |
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56 | real theta, |
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57 | real phi, |
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58 | real psi) |
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59 | { |
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60 | // if (req_minor > req_major || req_major > rpolar) return REAL(-1.0); // Exclude invalid region |
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61 | |
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62 | real stheta, ctheta; |
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63 | real sphi, cphi; |
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64 | real spsi, cpsi; |
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65 | real st, ct; |
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66 | |
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67 | const real q = sqrt(qx*qx + qy*qy); |
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68 | const real qxhat = qx/q; |
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69 | const real qyhat = qy/q; |
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70 | SINCOS(theta*M_PI_180, stheta, ctheta); |
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71 | SINCOS(phi*M_PI_180, sphi, cphi); |
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72 | SINCOS(psi*M_PI_180, spsi, cpsi); |
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73 | const real calpha = ctheta*cphi*qxhat + stheta*qyhat; |
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74 | const real cnu = (-cphi*spsi*stheta + sphi*cpsi)*qxhat + spsi*ctheta*qyhat; |
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75 | const real cmu = (-stheta*cpsi*cphi - spsi*sphi)*qxhat + ctheta*cpsi*qyhat; |
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76 | const real t = q*sqrt(req_minor*req_minor*cnu*cnu |
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77 | + req_major*req_major*cmu*cmu |
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78 | + rpolar*rpolar*calpha*calpha); |
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79 | SINCOS(t, st, ct); |
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80 | const real fq = ( t==REAL(0.0) ? REAL(1.0) : REAL(3.0)*(st-t*ct)/(t*t*t) ); |
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81 | const real s = (sld - solvent_sld) * form_volume(req_minor, req_major, rpolar); |
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82 | |
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83 | return REAL(1.0e-4) * fq * fq * s * s; |
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84 | } |
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85 | |
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