chem_class.hh

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//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2011 by the OpenStructure authors
//
// This 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 3.0 of the License, or (at your option)
// any later version.
// This 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 this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
//------------------------------------------------------------------------------
#ifndef OST_BASE_CHEM_CLASS_HI
#define OST_BASE_CHEM_CLASS_HI

#include <ost/mol/module_config.hh>


namespace ost { namespace mol {

struct DLLEXPORT ChemClass {
  const static char PeptideLinking  ='P';
  const static char DPeptideLinking ='D';
  const static char LPeptideLinking ='L';
  const static char RNALinking      ='R';  
  const static char DNALinking      ='S';    
  const static char NonPolymer      ='N';
  const static char LSaccharide     ='X';
  const static char DSaccharide     ='Y';    
  const static char Saccharide      ='Z';
  const static char Water           ='W';
  const static char Unknown         ='U';
  explicit ChemClass(char chem_class)
    : chem_class_(chem_class) {
  }

  ChemClass()
    : chem_class_(Unknown) {
  }
  bool operator==(const ChemClass& cc) const {
    return cc.chem_class_==chem_class_;
  }

  bool operator!=(const ChemClass& cc) const {
    return !this->operator==(cc);
  }

  bool IsPeptideLinking() const {
    return (chem_class_==ChemClass::PeptideLinking ||
            chem_class_==ChemClass::DPeptideLinking ||
            chem_class_==ChemClass::LPeptideLinking);
  }
  bool IsNucleotideLinking() const {
    return (chem_class_==ChemClass::DNALinking || 
            chem_class_==ChemClass::RNALinking);
  }
  
  bool IsWater() const { return chem_class_==ChemClass::Water; }
  operator char() const {
    return chem_class_;
  }
private:
  char chem_class_;
};

}} // ns
#endif