#if !defined(Hardsphere_h) #define Hardsphere_h #include "parameters.hh" /** * Structure definition for HardsphereStructure (factor) parameters */ //[PYTHONCLASS] = HardsphereStructure //[DISP_PARAMS] = effect_radius //[DESCRIPTION] =Structure factor for interacting particles: . // // The interparticle potential is // // U(r)= inf , r < 2R // = 0 , r >= 2R // // R: effective radius of the Hardsphere particle // V:The volume fraction // // Ref: Percus., J. K.,etc., J. Phy. // Rev. 1958, 110, 1. // //[FIXED]= effect_radius.width class HardsphereStructure{ public: // Model parameters /// effect radius of hardsphere [A] // [DEFAULT]=effect_radius=50.0 [A] Parameter effect_radius; /// Volume fraction // [DEFAULT]=volfraction= 0.2 Parameter volfraction; // Constructor HardsphereStructure(); // 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