mirror of https://github.com/CGAL/cgal
82 lines
2.9 KiB
C++
82 lines
2.9 KiB
C++
/* Copyright 2004
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Stanford University
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This file is part of the DSR PDB Library.
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The DSR PDB Library is free software; you can redistribute it and/or modify
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it under the terms of the GNU Lesser General Public License as published by
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the Free Software Foundation; either version 2.1 of the License, or (at your
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option) any later version.
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The DSR PDB Library is distributed in the hope that it will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public
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License for more details.
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You should have received a copy of the GNU Lesser General Public License
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along with the DSR PDB Library; see the file LICENSE.LGPL. If not, write to
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the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
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MA 02110-1301, USA. */
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#include <CGAL/PDB/PDB.h>
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#include <fstream>
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#include <CGAL/Testsuite/assert.h>
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#include <sstream>
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#include <CGAL/Exact_predicates_inexact_constructions_kernel.h>
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#include <CGAL/Regular_triangulation_euclidean_traits_3.h>
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#include "check_equal.h"
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int main(int , char *[]){
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//dsr::Residueres= dsr::Residue(dsr::Residue::VAL);
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//res.write(std::cout);
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std::string argv1="data/check_pdb.pdb";
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std::ifstream in(argv1.c_str());
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CGAL_PDB_NS::PDB p(in);
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//p.write(std::cout);
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std::ostringstream of;
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std::cout << "There are " << p.number_of_models() << " models." << std::endl;
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for (CGAL_PDB_NS::PDB::Model_iterator it= p.models_begin();
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it != p.models_end(); ++it){
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const CGAL_PDB_NS::Model &m= it->model();
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std::cout << "Model " << it->key() << " has "
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<< m.number_of_chains() << " chains" << std::endl;
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unsigned int na= std::distance(m.atoms_begin(), m.atoms_end());
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std::cout << "There are " << na << " atoms" << std::endl;
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unsigned int nb= std::distance(m.bonds_begin(), m.bonds_end());
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std::cout << "There are " << nb << " bonds" << std::endl;
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CGAL_assertion(na==1059);
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CGAL_assertion(nb==1062);
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unsigned int totaL_atoms=0;
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unsigned int total_bonds=0;
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for (CGAL_PDB_NS::Model::Chain_const_iterator it= m.chains_begin(); it != m.chains_end(); ++it){
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std::cout << "Chain " << it->key() << " has "
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<<it->chain().number_of_monomers() << " residues"
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<< std::endl;
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totaL_atoms += std::distance(it->chain().atoms_begin(), it->chain().atoms_end());
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total_bonds += std::distance(it->chain().bonds_begin(), it->chain().bonds_end());
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}
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CGAL_assertion(std::distance(m.atoms_begin(), m.atoms_end()) == totaL_atoms);
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CGAL_assertion(std::distance(m.bonds_begin(), m.bonds_end()) == total_bonds);
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}
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p.write(of);
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std::ofstream tmpfile("/tmp/out.pdb");
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//p.write(tmpfile);
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//of << std::fflush;
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std::ifstream nif(argv1.c_str());
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std::istringstream ofis(of.str().c_str());
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check_equal(nif, ofis);
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return return_code__;
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}
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