HomoRing.cpp

/*
* 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 "HomoRing.h"

namespace Simp
{

   using namespace Util;

   /* 
   * Default constructor.
   */
   HomoRing::HomoRing()
    : Ring(),
      type_(NullIndex)
   {  setClassName("HomoRing"); } 
 
   /* 
   * Read nAtom and type.
   */
   void HomoRing::readSpeciesParam(std::istream &in)
   {
      read<int>(in,"nAtom", nAtom_);
      read<int>(in,"type", type_);
      nBond_  = nAtom_;
      #ifdef SIMP_ANGLE
      nAngle_ = nAtom_;
      #endif
      #ifdef SIMP_DIHEDRAL
      nDihedral_ = nAtom_;
      #endif
      buildRing();
   }
 
   /* 
   * Read nAtom and type.
   */
   void HomoRing::loadSpeciesParam(Serializable::IArchive& ar)
   {
      loadParameter<int>(ar, "nAtom", nAtom_);
      loadParameter<int>(ar, "type", type_);
      nBond_  = nAtom_;
      #ifdef SIMP_ANGLE
      nAngle_ = nAtom_;
      #endif
      #ifdef SIMP_DIHEDRAL
      nDihedral_ = nAtom_;
      #endif
      buildRing();
   }

   /*
   * Save internal state to an archive.
   */
   void HomoRing::save(Serializable::OArchive &ar)
   {
      ar << id_;
      ar << moleculeCapacity_;
      ar << nAtom_;
      ar << type_;
   }

   /* 
   * Return type_ for every atom.
   */
   int HomoRing::calculateAtomTypeId(int index) const
   {  return type_; }
 
   /* 
   * Return 0 for every bond.
   */
   int HomoRing::calculateBondTypeId(int index) const
   {  return 0; }

   #ifdef SIMP_ANGLE
   /* 
   * Return 0 for every angle.
   */
   int HomoRing::calculateAngleTypeId(int index) const
   {  return 0; }
   #endif

   #ifdef SIMP_DIHEDRAL
   /* 
   * Return 0 for every dihedral.
   */
   int HomoRing::calculateDihedralTypeId(int index) const
   {  return 0; }
   #endif

}