/* Copyright 2004 Stanford University This file is part of the DSR PDB Library. The DSR PDB Library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version. The DSR PDB Library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details. You should have received a copy of the GNU Lesser General Public License along with the DSR PDB Library; see the file LICENSE.LGPL. If not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. */ #include #include #include #include #include #include #include #include #include "check_equal.h" int main(int , char *[]){ //dsr::Residueres= dsr::Residue(dsr::Residue::VAL); //res.write(std::cout); std::string argv1="data/check_pdb.pdb"; std::ifstream in(argv1.c_str()); CGAL_PDB_NS::PDB p(in); //p.write(std::cout); std::ostringstream of; std::cout << "There are " << p.number_of_models() << " models." << std::endl; for (unsigned int i=0; i< p.number_of_models(); ++i){ const CGAL_PDB_NS::Model &m= p.model(i); std::cout << "Model " << i << " has " << m.number_of_chains() << " chains" << std::endl; for (unsigned int j=0; j< m.number_of_chains(); ++j){ std::cout << "Chain " << j << " has " << m.chain(j).number_of_residues() << " residues" << std::endl; } } p.write(of); //of << std::fflush; #ifdef PDB_USE_CGAL if (false){ typedef CGAL::Regular_triangulation_euclidean_traits_3 Tr; std::vector wps; CGAL_PDB_NS::all_weighted_points(p.model(0), Tr(), std::back_inserter(wps)); std::copy(wps.begin(), wps.end(), std::ostream_iterator(std::cout, "\n")); } #endif std::ifstream nif(argv1.c_str()); std::istringstream ofis(of.str().c_str()); check_equal(nif, ofis); return return_code__; }