mirror of https://github.com/CGAL/cgal
63 lines
2.6 KiB
C++
63 lines
2.6 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/Chain.h>
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#include <CGAL/PDB/iterator.h>
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#include <fstream>
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int main() {
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//dsr::Residue res= dsr::Residue(dsr::Residue::VAL);
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//res.write(std::cout);
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using namespace CGAL::PDB;
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typedef Atom::Index Index;
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typedef std::pair<Index,Index> Bond;
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{
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std::ifstream in("data/check_protein.pdb");
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CGAL_PDB_NS::Chain p(in);
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unsigned int na= p.number_of_atoms();
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//p.write(std::cout);
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std::cout << "There are " << p.number_of_monomers() << " residues."
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<< std::endl;
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std::vector<Atom> atoms CGAL_make_vector(make_atom_iterator(p.atoms_begin()),
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make_atom_iterator(p.atoms_end()));
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CGAL_assertion(na==atoms.size());
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std::vector<Point> points CGAL_make_vector(make_point_iterator(make_atom_iterator(p.atoms_begin())),
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make_point_iterator(make_atom_iterator(p.atoms_end())));
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index_atoms(make_backbone_iterator(p.atoms_begin(), p.atoms_end()),
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make_backbone_iterator(p.atoms_end(), p.atoms_end()));
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std::vector<Index> bbi CGAL_make_vector(make_index_iterator(make_atom_iterator(make_backbone_iterator(p.atoms_begin(), p.atoms_end()))),
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make_index_iterator(make_atom_iterator(make_backbone_iterator(p.atoms_end(), p.atoms_end()))));
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CGAL_assertion(bbi.size() < atoms.size());
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std::cout << bbi.size() << std::endl;
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std::vector<Bond> bbs CGAL_make_vector(make_bond_indices_iterator(make_ok_bond_iterator(Is_backbone(), p.bonds_begin(), p.bonds_end())),
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make_bond_indices_iterator(make_ok_bond_iterator(Is_backbone(), p.bonds_end(), p.bonds_end())));
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std::cout << bbs.size() << std::endl;
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for (unsigned int i=0; i< bbs.size(); ++i) {
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CGAL_assertion(bbs[i].first < Index(bbi.size()));
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CGAL_assertion(bbs[i].second < Index(bbi.size()));
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}
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}
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return 0;
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}
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