source: sasview/src/sas/models/include/bcc.h @ 10a483f

#if !defined(bcc_h)
#define bcc_h
#include "parameters.hh"

/**
 * Structure definition for BCC_ParaCrystal parameters
 */
//[PYTHONCLASS] = BCCrystalModel
//[DISP_PARAMS] = radius,phi, psi, theta
//[DESCRIPTION] =<text>P(q)=(scale/Vp)*V_lattice*P(q)*Z(q)+bkg where scale is the volume
//                                       fraction of sphere,
//                              Vp = volume of the primary particle,
//                              V_lattice = volume correction for
//                                      for the crystal structure,
//                              P(q)= form factor of the sphere (normalized),
//                              Z(q)= paracrystalline structure factor
//                                      for a face centered cubic structure.
//                              [Body Centered Cubic ParaCrystal Model]
//                              Parameters;
//                              scale: volume fraction of spheres
//                              bkg:background, R: radius of sphere
//                              dnn: Nearest neighbor distance
//                              d_factor: Paracrystal distortion factor
//                              radius: radius of the spheres
//                              sldSph: SLD of the sphere
//                              sldSolv: SLD of the solvent
//
//              </text>
//[FIXED]=  radius.width;phi.width;psi.width; theta.width
//[ORIENTATION_PARAMS]= <text> phi;psi; theta; phi.width;psi.width; theta.width</text>

class BCCrystalModel{
public:
  // Model parameters
  /// Scale factor
  //  [DEFAULT]=scale= 1.0
  Parameter scale;

  /// Nearest neighbor distance [A]
  //  [DEFAULT]=dnn=220.0 [A]
  Parameter dnn;

  /// Paracrystal distortion factor g
  //  [DEFAULT]=d_factor=0.06
  Parameter d_factor;

  /// Radius of sphere [A]
  //  [DEFAULT]=radius=40.0 [A]
  Parameter radius;

  /// sldSph [1/A^(2)]
  //  [DEFAULT]=sldSph= 3.0e-6 [1/A^(2)]
  Parameter sldSph;

  /// sldSolv [1/A^(2)]
  //  [DEFAULT]=sldSolv= 6.3e-6 [1/A^(2)]
  Parameter sldSolv;

  /// Incoherent Background [1/cm]
  //  [DEFAULT]=background=0 [1/cm]
  Parameter background;
  /// Orientation of the a1 axis w/respect incoming beam [deg]
  //  [DEFAULT]=theta=0.0 [deg]
  Parameter theta;
  /// Orientation of the a2 in the plane of the detector [deg]
  //  [DEFAULT]=phi=0.0 [deg]
  Parameter phi;
  /// Orientation of the a3 in the plane of the detector [deg]
  //  [DEFAULT]=psi=0.0 [deg]
  Parameter psi;

  // Constructor
  BCCrystalModel();

  // Operators to get I(Q)
  double operator()(double q);
  double operator()(double qx, double qy);
  double calculate_ER();
  double calculate_VR();
  double evaluate_rphi(double q, double phi);
};


#endif