PDB.h

/* 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 COPYING.LIB.  If not, write to
the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston,
MA 02111-1307, USA. */

#ifndef DSR_PDB_H
#define DSR_PDB_H

#include <dsrpdb/Model.h>
#include <iostream>
#include <vector>



namespace dsrpdb {

  class PDB {
  public:

    PDB(std::istream &in, bool print_errors=false);
    PDB();
    ~PDB();

    void write(std::ostream &out) const;

    const Model &model(unsigned int i) const;
    Model &model(unsigned int i);
    void new_model(const Model &m);
    size_t number_of_models() const;

    typedef std::vector<std::string>::const_iterator Header_iterator;
    Header_iterator header_begin() const;
    Header_iterator header_end() const;

    template <class It>
    void set_header(It b, It e){
      header_.clear();
      header_.insert(header_.end(), b,e);
    }

    typedef std::vector<Model>::const_iterator Const_models_iterator;
    typedef std::vector<Model>::iterator Models_iterator;
    
    Const_models_iterator models_begin() const {
      return models_.begin();
    }
    Const_models_iterator models_end() const {
      return models_.end();
    }
    Models_iterator models_begin() {
      return models_.begin();
    }
    Models_iterator models_end() {
      return models_.end();
    }
  protected:
    void load(std::istream &in, bool print_errors);

    std::vector<std::string> header_;
    std::vector<Model> models_;
  };
};
#endif