- Categories
- Cylinder
- Cylinder
- cylinder.c
Cylinder - cylinder.c
static double
form_volume(double radius, double length)
{
return M_PI*radius*radius*length;
}
static double
_fq(double qab, double qc, double radius, double length)
{
return sas_2J1x_x(qab*radius) * sas_sinx_x(qc*0.5*length);
}
static double
radius_from_excluded_volume(double radius, double length)
{
return 0.5*cbrt(0.75*radius*(2.0*radius*length
+ (radius + length)*(M_PI*radius + length)));
}
static double
radius_from_volume(double radius, double length)
{
return cbrt(M_PI*radius*radius*length/M_4PI_3);
}
static double
radius_from_diagonal(double radius, double length)
{
return sqrt(radius*radius + 0.25*length*length);
}
static double
radius_effective(int mode, double radius, double length)
{
switch (mode) {
default:
case 1:
return radius_from_excluded_volume(radius, length);
case 2:
return radius_from_volume(radius, length);
case 3:
return radius;
case 4:
return 0.5*length;
case 5:
return (radius < 0.5*length ? radius : 0.5*length);
case 6:
return (radius > 0.5*length ? radius : 0.5*length);
case 7:
return radius_from_diagonal(radius,length);
}
}
static void
Fq(double q,
double *F1,
double *F2,
double sld,
double solvent_sld,
double radius,
double length)
{
// translate a point in [-1,1] to a point in [0, pi/2]
const double zm = M_PI_4;
const double zb = M_PI_4;
double total_F1 = 0.0;
double total_F2 = 0.0;
for (int i=0; i<GAUSS_N ;i++) {
const double theta = GAUSS_Z[i]*zm + zb;
double sin_theta, cos_theta; // slots to hold sincos function output
// theta (theta,phi) the projection of the cylinder on the detector plane
SINCOS(theta , sin_theta, cos_theta);
const double form = _fq(q*sin_theta, q*cos_theta, radius, length);
total_F1 += GAUSS_W[i] * form * sin_theta;
total_F2 += GAUSS_W[i] * form * form * sin_theta;
}
// translate dx in [-1,1] to dx in [lower,upper]
total_F1 *= zm;
total_F2 *= zm;
const double s = (sld - solvent_sld) * form_volume(radius, length);
*F1 = 1e-2 * s * total_F1;
*F2 = 1e-4 * s * s * total_F2;
}
static double
Iqac(double qab, double qc,
double sld,
double solvent_sld,
double radius,
double length)
{
const double form = _fq(qab, qc, radius, length);
const double s = (sld-solvent_sld) * form_volume(radius, length);
return 1.0e-4 * square(s * form);
}
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