PDBatom.cc

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//
// This example is provided by the Geant4-DNA collaboration
// Any report or published results obtained using the Geant4-DNA software
// shall cite the following Geant4-DNA collaboration publication:
// Med. Phys. 37 (2010) 4692-4708
// Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
//                  Bank (PDB) description for Geant4-DNA Monte-Carlo
//                  simulations (submitted to Comput. Phys. Commun.)
// The Geant4-DNA web site is available at http://geant4-dna.org
//
// $Id$
// 

#include "PDBatom.hh"

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Atom::Atom(int s,string n,string rN,int numInRes,int rS,
      double xInit,double yInit,double zInit,
      double radius,
      double o, double tF, string e)
{
  fSerial=s;
  fName=n;
  fResName=rN;
  fNumInRes=numInRes;
  fResSeq=rS;
  fX=xInit;
  fY=yInit;
  fZ=zInit;
  fVdwRadius=radius;
  fOccupancy=o;
  fTempFactor=tF;
  fElement=e;
  fpNext=0;
}

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Atom *Atom::GetNext()
{
  return fpNext;
}

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double Atom::GetX()
{
  return fX;
}

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double Atom::GetY()
{
  return fY;
}

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double Atom::GetZ()
{
  return fZ;
}

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int Atom::GetID()
{
  return fSerial;
}

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string Atom::GetName()
{
  return fName;
}

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string Atom::GetElementName()
{
  return fElement;
}

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double Atom::GetVanDerWaalsRadius()
{
  return fVdwRadius;
}

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void Atom::SetNext(Atom *AtomNext)
{
  fpNext=AtomNext;
}