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dlma/postprocessing/src/calc_density_correlation.cpp
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calc_density_correlation.cpp
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#include <post.h>
namespace post_p{
void postprocessing::dump_density_correlation(double bin_size){
double r_max=0.;
calc_rij();
for (int i = 0; i < N_pairs_; i++){
if (r_ij_[i] > r_max)
r_max = r_ij_[i];
}
int bins = (int)(r_max+1.);
rho_hist_ = (int*)malloc(sizeof(int) * bins);
for (int i = 0; i < bins; i++)
rho_hist_[i] = 0;
calc_density_correlation(bin_size);
double prefactor;
//prefactor = tgamma(0.5 * dim())/(2. * numParticles() * pow(M_PI, 0.5*dim()));
prefactor = 1./(2. * M_PI * numParticles());
printf("r,rho(r)\n");
for (int i = i; i < bins; i++){
//printf("%d,%lf\n", i, (prefactor * rho_hist_[i])/(1. * pow(1.*i, 1.*(dim()-1))));
printf("%d,%lf\n", i, (prefactor * rho_hist_[i])/(1. * i));
}
free(rho_hist_);
}
void postprocessing::dump_density_correlation(double bin_size, char *filename){
double r_max=0.;
calc_rij();
for (int i = 0; i < N_pairs_; i++){
if (r_ij_[i] > r_max)
r_max = r_ij_[i];
}
int bins = (int)(r_max+1.);
rho_hist_ = (int*)malloc(sizeof(int) * bins);
for (int i = 0; i < bins; i++)
rho_hist_[i] = 0;
calc_density_correlation(bin_size);
FILE *f;
f = fopen(filename, "w");
fprintf(f, "r,rho(r)\n");
for (int i = 0; i < bins; i++)
fprintf(f, "%d,%lf\n", i, rho_hist_[i]/(2. * numParticles()));
fclose(f);
free(rho_hist_);
}
/*void postprocessing::calc_density_correlation(){
bool xor_flag;
double offset=1e-10;
int counter=0;
for (int i = 0; i < numParticles(); i++){
for (int j = i+1; j < numParticles(); j++){
for (int axis = 0; axis < dim(); axis++)
posDiff_int_[axis] = (int)(fabs(get_periodic_image(pos(i,axis)-pos(j,axis), axis)) + offset);
xor_flag=false;
for (int axis=0; axis < dim(); axis++)
xor_flag = (xor_flag ^ (bool)posDiff_int_[axis]);
if (xor_flag){
for (int axis = 0; axis < dim(); axis++){
if (posDiff_int_[axis] != 0)
rho_hist_[posDiff_int_[axis]] += 1;
if (counter < 10){
if (axis == (dim()-1))
std::cout<<posDiff_int_[axis]<<std::endl;
else
std::cout<<posDiff_int_[axis]<<"\t";
}
}
counter += 1;
}
}
}
}*/
void postprocessing::calc_density_correlation(double bin_size){
double half_bin_size;
int r_int;
double offset;
for (int i = 0; i < N_pairs_; i++){
r_int = (int)(r_ij_[i]);
half_bin_size = 0.5 * bin_size * r_int;
if (fabs(r_ij_[i] - (1. * r_int)) < half_bin_size){
//std::cout<<"rij = "<<r_ij_[i]<<"\t r_int = "<<r_int<<"\t"<<rho_hist_[r_int]<<std::endl;
rho_hist_[r_int] += 1;
}
r_int += 1;
half_bin_size = 0.5 * bin_size * r_int;
if (fabs(r_ij_[i] - (1. * r_int)) < half_bin_size){
//std::cout<<"rij = "<<r_ij_[i]<<"\t r_int = "<<r_int<<"\t"<<rho_hist_[r_int]<<std::endl;
rho_hist_[r_int] += 1;
}
}
}
}
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