mirror of https://github.com/CGAL/cgal
86 lines
2.7 KiB
C++
86 lines
2.7 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 <cstdlib>
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#include <iostream>
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#include <fstream>
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#include <boost/program_options.hpp>
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int main(int argc, char *argv[]){
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std::string input_file;
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std::string output_file;
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bool print_help=false;
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bool verbose=false;
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{
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boost::program_options::options_description o("Allowed options"), po, ao;
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o.add_options()
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("help", boost::program_options::bool_switch(&print_help), "produce help message")
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("verbose,v", boost::program_options::bool_switch(&verbose),
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"Print error messages from reading the pdb files.");
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po.add_options()
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("input-pdb", boost::program_options::value< std::string >(&input_file),
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"The input and output files.");
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ao.add(o).add(po);
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boost::program_options::positional_options_description p;
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p.add("input-pdb", -1);
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boost::program_options::variables_map vm;
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boost::program_options::store(boost::program_options::command_line_parser(argc, argv).
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options(ao).positional(p).run(), vm);
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boost::program_options::notify(vm);
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if (print_help || input_file.empty()) {
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std::cout << "Print some statistics of a pdb file.\n";
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std::cout << "usage: " << argv[0] << " pdb_file.pdb\n";
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std::cout << o << "\n";
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return EXIT_SUCCESS;
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}
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}
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std::ifstream in(input_file.c_str());
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if (!in){
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std::cerr << "Error opening input file " << input_file << std::endl;
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return EXIT_FAILURE;
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}
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CGAL_PDB_NS::PDB inpdb(in, verbose);
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std::cout << "PDB has " << inpdb.number_of_models() << " models." << std::endl;
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for (CGAL_PDB_NS::PDB::Models_iterator mit= inpdb.models_begin(); mit != inpdb.models_end(); ++mit){
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CGAL_PDB_NS::Model m= *mit;
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std::cout << "Model has " << m.number_of_chains() << " chains." << std::endl;
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for (unsigned int i=0; i< m.number_of_chains(); ++i){
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std::cout << m.chain(i).chain() << " ";
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}
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std::cout << std::endl;
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}
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return EXIT_SUCCESS;
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}
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