Domains::initAfterFirstFrame(const TrajectoryAnalysisSettings &settings,
const t_trxframe &fr)
{
- std::cout << "Init After First Frame\n\n";
+ std::cout << "Init After First Frame - start\n\n";
ConstArrayRef< int > atomind = sel_[0].atomIndices();
index.resize(0);
for (ConstArrayRef<int>::iterator ai = atomind.begin(); (ai < atomind.end()); ai++) {
frankenstein_trajectory.back() = trajectory.back();
frames++;
- std::cout << "Init Analysis Finish\n\n";
+ std::cout << "Init After First Frame - end\n\n";
}
void
void
Domains::finishAnalysis(int nframes)
{
- std::cout << "Finish Analysis\n\n";
+ std::cout << "Finish Analysis - start\n\n";
//
//make_pdb_trajectory(frankenstein_trajectory, "/home/toluk/Develop/samples/reca_rd/10k_frames.pdb");
}
}
- std::cout << "\n" ;
+ std::cout << "Correlation's evaluation - start\n\n";
#pragma omp parallel
{
#pragma omp for schedule(dynamic)
for (int i = m; i <= k; i += 1) {
- std::cout << " k = " << i << " ";
-
rvec *medx, *medy, temp_zero;
snew(medx, index.size());
snew(medy, index.size());
sfree(medy);
}
}
- std::cout << "\n" ;
-
- std::cout << "printing correlation's file\n" ;
+ std::cout << "Correlation's evaluation - end\n\n";
//
//make_correlation_file(crltns, "corrs_vectors.txt", m);
//
- std::cout << "done\n" ;
-
+ std::cout << "Correlation's overview - start\n\n";
int imax = 0;
for (int i1 = 0; i1 < 100; i1++) {
int i5 = 0;
for (std::set< std::pair< int, int > >::iterator it = crr_prs.begin(); it != crr_prs.end(); it++) {
corr_prs.push_back(*it);
}
+ std::cout << "Correlation's overview - end\n\n";
//make_best_corrs_graphics(crltns, corr_prs, index, "best_graphics.txt");
std::vector< std::vector< int > > graph;
graph.resize(index.size());
rvec temp;
+ std::cout << "Path's finding - start\n\n";
for (int i = 1; i <= k; i++) {
for (int j = 0; j < index.size(); j++) {
for (int f = 0; f < index.size(); f++) {
rout_new.push_back(rout_old[i]);
}
}
- std::cout << "\nfinished routs\n\n" ;
+ std::cout << "Path's finding - end\n\n";
//
//make_rout_file(crl_border, index, rout_new, "routs.txt");
//
- std::cout << "\n\n\n job done \n\n\n";
+ std::cout << "Finish Analysis - end\n\n";
}
void