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dlma/postprocessing/src/unfolding.cpp
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unfolding.cpp
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#include <post.h>
namespace post_p
{
void postprocessing::dump_unfolded_file()
{
bool percolation_test;
if (max_attachments_ > 0){
percolation_test = check_percolation();
if (percolation_test){
dump_percolation_file();
}
else {
save_unfolded_config();
}
}
else{
for (int i = 0; i < numParticles(); i++){
for (int axis = 0; axis < dim(); axis++){
unfolded_coords(i,axis) = pos(i,axis);
}
}
save_unfolded_config();
}
}
void postprocessing::dump_unfolded_file(char *filename)
{
bool percolation_test;
if (max_attachments_ > 0){
percolation_test = check_percolation();
if (percolation_test){
dump_percolation_file(filename);
}
else {
save_unfolded_config(filename);
}
}
else{
for (int i = 0; i < numParticles(); i++){
for (int axis = 0; axis < dim(); axis++){
unfolded_coords(i,axis) = pos(i,axis);
}
}
save_unfolded_config(filename);
}
}
void postprocessing::init_unfolding()
{
for (int i = 0; i < numParticles(); i++){
for (int axis = 0; axis < dim(); axis++){
cluster_percolation(i,axis)=0;
}
}
totalClusters_ = 0;
for (int i = 0; i < numParticles(); i++) {
is_placed(i) = false;
unfoldedAttachments(i) = 0;
for (int axis = 0; axis < dim(); axis++)
unfolded_coords(i,axis) = 0.;
}
for (int i = 0; i < numParticles(); i++){
if (is_placed(i) == false){
unfold(i,i);
totalClusters_+=1;
}
}
}
void postprocessing::unfold(const int prev, const int next)
{
for (int axis = 0; axis < dim(); axis++)
posDiff(axis) = get_periodic_image(pos(next,axis) - pos(prev,axis), axis);
for (int axis = 0; axis < dim(); axis++){
if (prev == next)
unfolded_coords(next,axis) = pos(prev,axis) + posDiff(axis);
else
unfolded_coords(next,axis) = unfolded_coords(prev,axis) + posDiff(axis);
}
is_placed(next) = true;
for (int att = 0; att < numAttachments(next); att++)
{
temp_next = attachment(next, att);
if (is_placed(temp_next) == false){
unfoldedAttachments(next) = unfoldedAttachments(next) + 1;
unfoldedAttachments(temp_next) = unfoldedAttachments(temp_next) + 1;
unfold(next, temp_next);
}
else {
for (int axis = 0; axis < dim(); axis++) {
posDiff(axis) = unfolded_coords(temp_next, axis) - unfolded_coords(next, axis);
if ((posDiff(axis) > halfL(axis)) || (posDiff(axis) < -halfL(axis))){
cluster_percolation(totalClusters_,axis) = 1;
}
}
}
}
}
}
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