cgal/PDB.tmpout/test/PDB/check_bonds.cpp

17 lines
522 B
C++

#include <CGAL/PDB/Protein.h>
#include <CGAL/PDB/geometry.h>
#include <fstream>
#include <vector>
#include <cassert>
int main(int, char *[]){
std::ifstream input("data/check_bonds.pdb");
CGAL_PDB_NS::Protein helix(input);
//helix.dump(std::cout);
std::vector<CGAL_PDB_NS::Point> points;
std::vector<CGAL_PDB_NS::Protein::Bond> bonds;
CGAL_PDB_NS::backbone_coordinates_and_bonds(helix, std::back_inserter(points), std::back_inserter(bonds));
assert(bonds.size() == points.size()-2);
return EXIT_SUCCESS;
}