source: sasmodels/sasmodels/models/triaxial_ellipsoid.c @ 5d4777d

core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change on this file since 5d4777d was 5d4777d, checked in by Paul Kienzle <pkienzle@…>, 10 years ago

reorganize, check and update models

  • Property mode set to 100644
File size: 2.9 KB
Line 
1real form_volume(real req_minor, real req_major, real rpolar);
2real Iq(real q, real sld, real solvent_sld,
3    real req_minor, real req_major, real rpolar);
4real Iqxy(real qx, real qy, real sld, real solvent_sld,
5    real req_minor, real req_major, real rpolar, real theta, real phi, real psi);
6
7real form_volume(real req_minor, real req_major, real rpolar)
8{
9    return REAL(1.333333333333333)*M_PI*req_minor*req_major*rpolar;
10}
11
12real Iq(real q,
13    real sld,
14    real solvent_sld,
15    real req_minor,
16    real req_major,
17    real rpolar)
18{
19    // if (req_minor > req_major || req_major > rpolar) return REAL(-1.0);  // Exclude invalid region
20
21    real sn, cn;
22    real st, ct;
23    //const real lower = REAL(0.0);
24    //const real upper = REAL(1.0);
25    real outer = REAL(0.0);
26    for (int i=0;i<76;i++) {
27        //const real cos_alpha = (Gauss76Z[i]*(upper-lower) + upper + lower)/2;
28        const real x = REAL(0.5)*(Gauss76Z[i] + REAL(1.0));
29        SINCOS(M_PI_2*x, sn, cn);
30        const real acosx2 = req_minor*req_minor*cn*cn;
31        const real bsinx2 = req_major*req_major*sn*sn;
32        const real c2 = rpolar*rpolar;
33
34        real inner = REAL(0.0);
35        for (int j=0;j<76;j++) {
36            const real y = REAL(0.5)*(Gauss76Z[j] + REAL(1.0));
37            const real t = q*sqrt(acosx2 + bsinx2*(REAL(1.0)-y*y) + c2*y*y);
38            SINCOS(t, st, ct);
39            const real fq = ( t==REAL(0.0) ? REAL(1.0) : REAL(3.0)*(st-t*ct)/(t*t*t) );
40            inner += Gauss76Wt[j] * fq * fq ;
41        }
42        outer += Gauss76Wt[i] * REAL(0.5) * inner;
43    }
44    //const real fq2 = (upper-lower)/2*outer;
45    const real fq2 = REAL(0.5)*outer;
46    const real s = (sld - solvent_sld) * form_volume(req_minor, req_major, rpolar);
47    return REAL(1.0e-4) * fq2 * s * s;
48}
49
50real Iqxy(real qx, real qy,
51    real sld,
52    real solvent_sld,
53    real req_minor,
54    real req_major,
55    real rpolar,
56    real theta,
57    real phi,
58    real psi)
59{
60    // if (req_minor > req_major || req_major > rpolar) return REAL(-1.0);  // Exclude invalid region
61
62    real stheta, ctheta;
63    real sphi, cphi;
64    real spsi, cpsi;
65    real st, ct;
66
67    const real q = sqrt(qx*qx + qy*qy);
68    const real qxhat = qx/q;
69    const real qyhat = qy/q;
70    SINCOS(theta*M_PI_180, stheta, ctheta);
71    SINCOS(phi*M_PI_180, sphi, cphi);
72    SINCOS(psi*M_PI_180, spsi, cpsi);
73    const real calpha = ctheta*cphi*qxhat + stheta*qyhat;
74    const real cnu = (-cphi*spsi*stheta + sphi*cpsi)*qxhat + spsi*ctheta*qyhat;
75    const real cmu = (-stheta*cpsi*cphi - spsi*sphi)*qxhat + ctheta*cpsi*qyhat;
76    const real t = q*sqrt(req_minor*req_minor*cnu*cnu
77                          + req_major*req_major*cmu*cmu
78                          + rpolar*rpolar*calpha*calpha);
79    SINCOS(t, st, ct);
80    const real fq = ( t==REAL(0.0) ? REAL(1.0) : REAL(3.0)*(st-t*ct)/(t*t*t) );
81    const real s = (sld - solvent_sld) * form_volume(req_minor, req_major, rpolar);
82
83    return REAL(1.0e-4) * fq * fq * s * s;
84}
85
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