Domains::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
TrajectoryAnalysisModuleData *pdata)
{
- std::cout << "Analyze Frame\n\n";
trajectory.resize(trajectory.size() + 1);
trajectory.back().resize(index.size());
}
frames++;
- std::cout << "Finishe Analyze Frame\n\n";
}
void
Domains::finishAnalysis(int nframes)
{
std::cout << "Finish Analysis\n\n";
- make_pdb_trajectory(frankenstein_trajectory, "/home/toluk/Develop/samples/reca_rd/10k_frames.pdb");
+
+ //
+ //make_pdb_trajectory(frankenstein_trajectory, "/home/toluk/Develop/samples/reca_rd/10k_frames.pdb");
+ //
std::vector< std::vector< std::vector< double > > > crltns;
int k = 1000, m = 0;
std::cout << "\n" ;
std::cout << "printing correlation's file\n" ;
- make_correlation_file(crltns, "corrs_vectors.txt", m);
+
+ //
+ //make_correlation_file(crltns, "corrs_vectors.txt", m);
+ //
+
std::cout << "done\n" ;
int imax = 0;
for (std::set< std::pair< int, int > >::iterator it = crr_prs.begin(); it != crr_prs.end(); it++) {
corr_prs.push_back(*it);
}
- make_best_corrs_graphics(crltns, corr_prs, index, "best_graphics.txt");
+ //make_best_corrs_graphics(crltns, corr_prs, index, "best_graphics.txt");
std::vector< std::vector< int > > graph;
graph.resize(index.size());
}
std::cout << "\nfinished routs\n\n" ;
- make_rout_file(crl_border, index, rout_new, "routs.txt");
+ //
+ //make_rout_file(crl_border, index, rout_new, "routs.txt");
+ //
std::cout << "\n\n\n job done \n\n\n";
}