source: sasmodels/sasmodels/models/core_multi_shell.c @ ee60aa7

core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change on this file since ee60aa7 was ee60aa7, checked in by Paul Kienzle <pkienzle@…>, 6 years ago

clean up effective radius functions; improve mono_gauss_coil accuracy; start moving VR into C

  • Property mode set to 100644
File size: 1.3 KB
RevLine 
[f7930be]1
2static double
3f_constant(double q, double r, double sld)
4{
[925ad6e]5  const double bes = sas_3j1x_x(q * r);
[c5ac2b2]6  const double vol = M_4PI_3 * cube(r);
[f7930be]7  return sld * vol * bes;
8}
9
[21fbab1]10static double
[ee60aa7]11outer_radius(double core_radius, double fp_n, double thickness[])
[f7930be]12{
13  double r = core_radius;
[21fbab1]14  int n = (int)(fp_n+0.5);
[c5ac2b2]15  for (int i=0; i < n; i++) {
[f7930be]16    r += thickness[i];
17  }
[ee60aa7]18  return r;
[f7930be]19}
20
[d277229]21static double
[ee60aa7]22form_volume(double core_radius, double fp_n, double thickness[])
[d277229]23{
[ee60aa7]24  return M_4PI_3 * cube(outer_radius(core_radius, fp_n, thickness));
[d277229]25}
26
27static double
28effective_radius(int mode, double core_radius, double fp_n, double thickness[])
29{
[ee60aa7]30  switch (mode) {
31  case 1: // outer radius
32    return outer_radius(core_radius, fp_n, thickness);
33  case 2: // core radius
34    return core_radius;
35  }
[d277229]36}
37
[71b751d]38static void
39Fq(double q, double *F1, double *F2, double core_sld, double core_radius,
[21fbab1]40   double solvent_sld, double fp_n, double sld[], double thickness[])
[f7930be]41{
[21fbab1]42  const int n = (int)(fp_n+0.5);
[c5ac2b2]43  double f, r, last_sld;
[f7930be]44  r = core_radius;
[c5ac2b2]45  last_sld = core_sld;
46  f = 0.;
47  for (int i=0; i<n; i++) {
[925ad6e]48    f += M_4PI_3 * cube(r) * (sld[i] - last_sld) * sas_3j1x_x(q*r);
[c5ac2b2]49    last_sld = sld[i];
[f7930be]50    r += thickness[i];
51  }
[925ad6e]52  f += M_4PI_3 * cube(r) * (solvent_sld - last_sld) * sas_3j1x_x(q*r);
[71b751d]53  *F1 = 1e-2 * f;
54  *F2 = 1e-4 * f * f;
[f7930be]55}
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