LinearSG.h

#ifndef MCMD_LINEAR_SG_H
#define MCMD_LINEAR_SG_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2014, 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/DArray.h> // member template
#include <util/containers/Pair.h>   // member

namespace McMd
{

   using namespace Util;
   using namespace Simp;

   class LinearSG : public Simp::Linear, public McMd::SpeciesMutator
   {
   
   public:
  
      LinearSG();
   
      virtual ~LinearSG();
  
      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.
      Pair<int> typeIds_;

      // Ratio of statistical weights for typeId[0]/typeId[1]
      double weightRatio_;
      
      // Array with the identity of each bead for subtype 0 
      DArray<int> beadTypeIds0_;

      // Array with the identity of each bead for subtype 1 
      DArray<int> beadTypeIds1_; 

   };
   
} 
#endif