/* LamellarCaille kernel - allows for name changes of passed parameters ... */ double Iq(double qval, double del, double Nlayers, double dd, double Cp, double sld, double solvent_sld); double Iq(double qval, double del, double Nlayers, double dd, double Cp, double sld, double solvent_sld) { double contr,NN; //local variables of coefficient wave double inten,Pq,Sq,alpha,temp,t2; //double dQ, dQDefault, t1, t3; int ii,NNint; // 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 NN = trunc(Nlayers); //be sure that NN is an integer contr = sld - solvent_sld; Pq = 2.0*contr*contr/qval/qval*(1.0-cos(qval*del)); NNint = (int)NN; //cast to an integer for the loop ii=0; Sq = 0.0; // the vital "=" in ii<= added March 2015 for(ii=1;ii<=(NNint-1);ii+=1) { //fii = (double)ii; //do I really need to do this? - unused variable, removed 18Feb2015 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-ii/NN; //temp *= cos(dd*qval*ii/(1.0+t1)); temp *= cos(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; inten = 2.0*M_PI*Pq*Sq/(dd*qval*qval); inten *= 1.0e-04; // 1/A to 1/cm return(inten); }