atom_selectors.h

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// Copyright (c) 2009-2010  INRIA Sophia-Antipolis (France).
// All rights reserved.
//
//This file is part of ESBTL.
//
//ESBTL is free software: you can redistribute it and/or modify
//it under the terms of the GNU General Public License as published by
//the Free Software Foundation, either version 3 of the License, or
//(at your option) any later version.
//
//ESBTL 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 General Public License for more details.
//
//You should have received a copy of the GNU General Public License
//along with ESBTL.  If not, see <http://www.gnu.org/licenses/>.
//
//
//Additional permission under GNU GPL version 3 section 7
//
//If you modify this Library, or any covered work, by linking or
//combining it with CGAL (or a modified version of that library), the
//licensors of this Library grant you additional permission to convey
//the resulting work. Corresponding Source for a non-source form of
//such a combination shall include the source code for the parts of CGAL
//used as well as that of the covered work. 
//
//
//
// Author(s)     :  Sébastien Loriot


#include <set>

#ifndef ESBTL_ATOM_SELECTORS_H
#define ESBTL_ATOM_SELECTORS_H

namespace ESBTL{

struct Select_by_resname{
  std::string name;
  Select_by_resname(){}; //needed by selected_atom_iterator::end and default constructor
  Select_by_resname(const std::string& str):name(str){}
  template <class Atom>
  bool operator()(const Atom& atom) const {
    return get_residue_name(atom)==name;
  }
};


struct Select_by_atmname{
  std::string name;
  Select_by_atmname(){}; //needed by selected_atom_iterator::end and default constructor

  Select_by_atmname(const std::string& str):name(str){}
    
  template <class Atom>
  bool operator()(const Atom& atom) const {
    return get_atom_name(atom)==name;
  }
};

struct Select_by_element{
  std::string name;
  Select_by_element(){}; //needed by selected_atom_iterator::end and default constructor
  Select_by_element(const std::string& str):name(str){}
  template <class Atom>
  bool operator()(const Atom& atom) const {
    return get_element(atom)==name;
  }
};

class Select_by_chainids{
  std::set<char> chains;
public:
  Select_by_chainids(){}; //needed by selected_atom_iterator::end and default constructor
  Select_by_chainids(const std::string& chs){
    for (unsigned i=0;i!=chs.size();++i)
      chains.insert(chs[i]);
  }
  
  template <class Atom>
  bool operator()(const Atom& atom) const {
    return chains.find( get_chain_identifier( atom ) ) != chains.end();
  }
};

} //namespace ESBTL

#endif //ESBTL_ATOM_SELECTORS_H