group_types.h

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// -*- mode: c++; -*-
//
//The Biomolecule Toolkit (BTK) is a C++ library for use in the
//modeling, analysis, and design of biological macromolecules.
//Copyright (C) 2004, Christopher Saunders <ctsa@users.sourceforge.net>
//
//This program 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.
//
//This program 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 this program; if not, write to the Free Software Foundation, 
//Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
//

#ifndef BTK_GROUP_TYPES_H
#define BTK_GROUP_TYPES_H

#include <string>

// enumerator for names of buildable atom groups, including monomer families
// and molecules
//

namespace BTK{
  namespace GROUP { 
    enum index_t {
      UNKNOWN = -1,
      MOLECULE,
      MONOMER,
      ALA,CYS,ASP,GLU,PHE,
      GLY,HSE,HSD,HSP,HIS,
      ILE,LYS,LEU,MET,ASN,
      PRO,GLN,ARG,SER,THR,
      VAL,TRP,TYR,
      SIZE
    };

    index_t name3_to_index(const std::string& s) ;

    const std::string& index_to_name3(index_t i) ; 

    char index_to_name1(index_t i) ;
  }
} 

#endif

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