HomopolymerSG.h

#ifndef MCMD_HOMOPOLYMER_SG_H
#define MCMD_HOMOPOLYMER_SG_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

#include "SpeciesMutator.h"         // base class
#include <simp/species/Linear.h>    // base class
#include <util/containers/Pair.h>   // member

namespace McMd
{

   using namespace Util;
   using namespace Simp;

   class HomopolymerSG : public Simp::Linear, public McMd::SpeciesMutator
   {

   public:

      HomopolymerSG();

      virtual ~HomopolymerSG();

      virtual void readParameters(std::istream& in);

      virtual void setMoleculeState(Molecule& molecule, int stateId);

      virtual void save(Serializable::OArchive &ar);
   
   protected:

      virtual void readSpeciesParam(std::istream &in);

      virtual void loadSpeciesParam(Serializable::IArchive &ar);

      virtual int calculateAtomTypeId(int index) const;

      virtual int calculateBondTypeId(int index) const;

      #ifdef SIMP_ANGLE

      virtual int calculateAngleTypeId(int index) const;
      #endif

      #ifdef SIMP_DIHEDRAL

      virtual int calculateDihedralTypeId(int index) const;
      #endif

   private:

      // Type index for all bonds
      int bondType_;

      #ifdef SIMP_ANGLE
      // Type index for all angles (if any)
      int angleType_;
      #endif

      #ifdef SIMP_DIHEDRAL
      // Type index for all dihedrals (if any)
      int dihedralType_;
      #endif

      // A Pair of atom type indexes.
      // Atoms in a molecule with stateId = i have type typeIds_[i]
      Pair<int> typeIds_;

      double weightRatio_;

   };

}
#endif