#if !defined(SquareWell_h)
#define SquareWell_h
#include "parameters.hh"
/**Structure definition for SquareWell parameters
*/
// [PYTHONCLASS] = SquareWellStructure
// [DISP_PARAMS] = effect_radius
// [DESCRIPTION] = Structure Factor for interacting particles: .
//
// The interaction potential is
//
// U(r)= inf , r < 2R
// = -d , 2R <= r <=2Rw
// = 0 , r >= 2Rw
//
// R: effective radius (A)of the particle
// v: volume fraction
// d: well depth
// w: well width; multiples of the
// particle diameter
//
// Ref: Sharma, R. V.; Sharma,
// K. C., Physica, 1977, 89A, 213.
//
// [FIXED]= effect_radius.width
//[ORIENTATION_PARAMS]=
class SquareWellStructure{
public:
// Model parameters
/// effective radius of particle [A]
// [DEFAULT]=effect_radius=50.0 [A]
Parameter effect_radius;
/// Volume fraction
// [DEFAULT]=volfraction= 0.040
Parameter volfraction;
/// Well depth [kT]
// [DEFAULT]=welldepth= 1.50 [kT]
Parameter welldepth;
/// Well width
// [DEFAULT]=wellwidth= 1.20
Parameter wellwidth;
// Constructor
SquareWellStructure();
// Operators to get I(Q)
double operator()(double q);
double operator()(double qx, double qy);
double calculate_ER();
double evaluate_rphi(double q, double phi);
};
#endif