/* LamellarCailleHG kernel - allows for name changes of passed parameters ... Maths identical to LamellarCaille apart from the line for P(Q) */ static double Iq(double qval, double length_tail, double length_head, double fp_Nlayers, double dd, double Cp, double tail_sld, double head_sld, double solvent_sld) { int Nlayers = (int)(fp_Nlayers+0.5); //cast to an integer for the loop double inten,Pq,Sq,alpha,temp,t2; //double dQ, dQDefault, t1, t3; // from wikipedia 0.577215664901532860606512090082402431042159335 const double Euler = 0.577215664901533; // Euler's constant, increased sig figs for new models Feb 2015 //dQDefault = 0.0; //[=] 1/A, q-resolution, default value //dQ = dQDefault; // REMOVED UNUSED dQ calculations for new models Feb 2015 Pq = (head_sld-solvent_sld)*(sin(qval*(length_head+length_tail))-sin(qval*length_tail)) + (tail_sld-solvent_sld)*sin(qval*length_tail); Pq *= Pq; Pq *= 4.0/(qval*qval); Sq = 0.0; for(int ii=1; ii < Nlayers; ii++) { temp = 0.0; alpha = Cp/4.0/M_PI/M_PI*(log(M_PI*ii) + Euler); //t1 = 2.0*dQ*dQ*dd*dd*alpha; t2 = 2.0*qval*qval*dd*dd*alpha; //t3 = dQ*dQ*dd*dd*ii*ii; temp = 1.0-(double)ii/(double)Nlayers; //temp *= cos(dd*qval*ii/(1.0+t1)); temp *= cos(dd*qval*ii); //if (temp < 0) printf("q=%g: ii=%d, cos(dd*q*ii)=cos(%g) < 0\n",qval,ii,dd*qval*ii); //temp *= exp(-1.0*(t2 + t3)/(2.0*(1.0+t1)) ); temp *= exp(-t2/2.0); //temp /= sqrt(1.0+t1); Sq += temp; } Sq *= 2.0; Sq += 1.0; //if (Sq < 0) printf("q=%g: S(q) =%g\n", qval, Sq); inten = 2.0*M_PI*Pq*Sq/(dd*qval*qval); inten *= 1.0e-04; // 1/A to 1/cm return inten; }