StuntDouble.hpp

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 * POSSIBILITY OF SUCH DAMAGE.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
/**
 * @file StuntDouble.hpp
 * @author    tlin
 * @date  10/22/2004
 * @version 1.0
 */
 
#ifndef PRIMITIVES_STUNTDOUBLE_HPP
#define PRIMITIVES_STUNTDOUBLE_HPP
 
#include <memory>
#include <vector>
 
#include "brains/Snapshot.hpp"
#include "brains/SnapshotManager.hpp"
#include "math/Quaternion.hpp"
#include "math/SquareMatrix3.hpp"
#include "math/Vector3.hpp"
#include "utils/PropertyMap.hpp"
#include "visitors/BaseVisitor.hpp"
 
namespace OpenMD {
 
  /**
   * @class StuntDouble StuntDouble.hpp "Primitives/StuntDouble.hpp"
   * @brief
   *     "Don't move, or you're dead! Stand up! Captain, we've got them!"
   *
   *     "Spectacular stunt, my friends, but all for naught. Turn around
   *      please. Ha. What a pity. What a pity. So, Princess, you thought
   *      you could outwit the imperious forces of...."
   *
   *     "You idiots! These are not them. You've captured their stunt
   *      doubles! Search the area. Find them! Find them!"
   *
   * StuntDouble is a very strange idea.  A StuntDouble stands in for
   * some object that can be manipulated by the Integrators or
   * Minimizers.  Some of the manipulable objects are Atoms, some are
   * DirectionalAtoms, and some are RigidBodies.  StuntDouble
   * provides an interface for the Integrators and Minimizers to use,
   * and does some preliminary sanity checking so that the program
   * doesn't try to do something stupid like torque an Atom (The
   * quotes above are from Spaceballs...)
   *
   * @note the dynamic data of stuntDouble will be stored outside of the class
   */
  class StuntDouble {
  public:
    enum ObjectType { otAtom, otDAtom, otRigidBody };
 
    virtual ~StuntDouble() = default;
 
    /**
     * Returns the global index of this stuntDouble.
     * @return  the global index of this stuntDouble
     */
    int getGlobalIndex() { return globalIndex_; }
 
    /**
     * Sets the global index of this stuntDouble.
     * @param index new global index to be set
     */
    void setGlobalIndex(int index) { globalIndex_ = index; }
 
    /**
     * Returns the local index of this stuntDouble
     * @return the local index of this stuntDouble
     */
    int getLocalIndex() { return localIndex_; }
 
    /**
     * Sets the local index of this stuntDouble
     * @param index new index to be set
     */
    void setLocalIndex(int index) { localIndex_ = index; }
 
    int getGlobalIntegrableObjectIndex() {
      return globalIntegrableObjectIndex_;
    }
 
    void setGlobalIntegrableObjectIndex(int index) {
      globalIntegrableObjectIndex_ = index;
    }
 
    /**
     * Sets the Snapshot Manager of this stuntDouble
     */
    void setSnapshotManager(SnapshotManager* sman) { snapshotMan_ = sman; }
 
    /**
     * Tests if this stuntDouble is an atom
     * @return true is this stuntDouble is an atom(or a directional atom),
     * return false otherwise
     */
    bool isAtom() { return objType_ == otAtom || objType_ == otDAtom; }
 
    /**
     * Tests if this stuntDouble is an directional atom
     * @return true if this stuntDouble is an directional atom, return false
     * otherwise
     */
    bool isDirectionalAtom() { return objType_ == otDAtom; }
 
    /**
     * Tests if this stuntDouble is a rigid body.
     * @return true if this stuntDouble is a rigid body, otherwise return false
     */
    bool isRigidBody() { return objType_ == otRigidBody; }
 
    /**
     * Tests if this stuntDouble is a directional one.
     * @return true is this stuntDouble is a directional atom or a rigid body,
     * return false otherwise
     */
    bool isDirectional() { return isDirectionalAtom() || isRigidBody(); }
 
    /**
     * Freezes out all velocity, angular velocity, forces and torques
     * on this StuntDouble.  Also computes the number of frozen degrees
     * of freedom.
     * @return the total number of frozen degrees of freedom
     */
    int freeze() {
      int fdf = 3;
 
      setVel(V3Zero);
      setFrc(V3Zero);
      if (isDirectional()) {
        setJ(V3Zero);
        setTrq(V3Zero);
        if (isLinear())
          fdf += 2;
        else
          fdf += 3;
      }
      return fdf;
    }
 
    /**
     * Returns the previous position of this stuntDouble
     * @return the position of this stuntDouble
     */
    Vector3d getPrevPos() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .position[localIndex_];
    }
 
    /**
     * Returns the current position of this stuntDouble
     * @return the position of this stuntDouble
     */
    Vector3d getPos() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .position[localIndex_];
    }
 
    /**
     * Returns the position of this stuntDouble in specified snapshot
     * @return the position of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getPos(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .position[localIndex_];
    }
 
    /**
     * Sets  the previous position of this stuntDouble
     * @param pos  new position
     * @see #getPos
     */
    void setPrevPos(const Vector3d& pos) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).position[localIndex_] =
          pos;
    }
 
    /**
     * Sets  the current position of this stuntDouble
     * @param pos  new position
     */
    void setPos(const Vector3d& pos) {
      DataStorage& data = snapshotMan_->getCurrentSnapshot()->*storage_;
      data.position[localIndex_] = pos;
      //((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_]
      //= pos;
    }
 
    /**
     * Sets  the position of this stuntDouble in specified snapshot
     * @param pos position to be set
     * @param snapshotNo
     * @see #getPos
     */
    void setPos(const Vector3d& pos, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .position[localIndex_] = pos;
    }
 
    /**
     * Returns the previous velocity of this stuntDouble
     * @return the velocity of this stuntDouble
     */
    Vector3d getPrevVel() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .velocity[localIndex_];
    }
 
    /**
     * Returns the current velocity of this stuntDouble
     * @return the velocity of this stuntDouble
     */
    Vector3d getVel() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .velocity[localIndex_];
    }
 
    /**
     * Returns the velocity of this stuntDouble in specified snapshot
     * @return the velocity of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getVel(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .velocity[localIndex_];
    }
 
    Vector3d getVel(Snapshot* snapshot) {
      return (snapshot->*storage_).velocity[localIndex_];
    }
 
    /**
     * Sets  the previous velocity of this stuntDouble
     * @param vel  new velocity
     * @see #getVel
     */
    void setPrevVel(const Vector3d& vel) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).velocity[localIndex_] =
          vel;
    }
 
    /**
     * Sets  the current velocity of this stuntDouble
     * @param vel  new velocity
     */
    void setVel(const Vector3d& vel) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).velocity[localIndex_] =
          vel;
    }
 
    /**
     * Sets  the velocity of this stuntDouble in specified snapshot
     * @param vel velocity to be set
     * @param snapshotNo
     * @see #getVel
     */
    void setVel(const Vector3d& vel, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .velocity[localIndex_] = vel;
    }
 
    /**
     * Returns the previous rotation matrix of this stuntDouble
     * @return the rotation matrix of this stuntDouble
     */
    RotMat3x3d getPrevA() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_];
    }
 
    /**
     * Returns the current rotation matrix of this stuntDouble
     * @return the rotation matrix of this stuntDouble
     */
    RotMat3x3d getA() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .aMat[localIndex_];
    }
 
    /**
     * Returns the rotation matrix of this stuntDouble in specified snapshot
     *
     * @return the rotation matrix of this stuntDouble
     * @param snapshotNo
     */
    RotMat3x3d getA(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .aMat[localIndex_];
    }
 
    /**
     * Sets  the previous rotation matrix of this stuntDouble
     * @param a  new rotation matrix
     * @see #getA
     */
    virtual void setPrevA(const RotMat3x3d& a) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a;
    }
 
    /**
     * Sets  the current rotation matrix of this stuntDouble
     * @param a  new rotation matrix
     */
    virtual void setA(const RotMat3x3d& a) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a;
    }
 
    /**
     * Sets  the rotation matrix of this stuntDouble in specified snapshot
     * @param a rotation matrix to be set
     * @param snapshotNo
     * @see #getA
     */
    virtual void setA(const RotMat3x3d& a, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] =
          a;
    }
 
    /**
     * Returns the previous angular momentum of this stuntDouble (body-fixed).
     * @return the angular momentum of this stuntDouble
     */
    Vector3d getPrevJ() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .angularMomentum[localIndex_];
    }
 
    /**
     * Returns the current angular momentum of this stuntDouble (body -fixed).
     * @return the angular momentum of this stuntDouble
     */
    Vector3d getJ() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .angularMomentum[localIndex_];
    }
 
    /**
     * Returns the angular momentum of this stuntDouble in specified snapshot
     * (body-fixed).
     * @return the angular momentum of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getJ(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .angularMomentum[localIndex_];
    }
 
    /**
     * Sets  the previous angular momentum of this stuntDouble (body-fixed).
     * @param angMom  new angular momentum
     * @see #getJ
     */
    void setPrevJ(const Vector3d& angMom) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .angularMomentum[localIndex_] = angMom;
    }
 
    /**
     * Sets  the current angular momentum of this stuntDouble (body-fixed).
     * @param angMom  new angular momentum
     */
    void setJ(const Vector3d& angMom) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .angularMomentum[localIndex_] = angMom;
    }
 
    /**
     * Sets the angular momentum of this stuntDouble in specified
     * snapshot(body-fixed).
     * @param angMom angular momentum to be set
     * @param snapshotNo
     * @see #getJ
     */
    void setJ(const Vector3d& angMom, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .angularMomentum[localIndex_] = angMom;
    }
 
    /**
     * Returns system Center of Mass for stuntDouble frame from snapshot
     *
     */
    Vector3d getCOM() { return (snapshotMan_->getCurrentSnapshot())->getCOM(); }
 
    /**
     * Returns system Center of Mass velocity for stuntDouble frame from
     * snapshot
     */
    Vector3d getCOMvel() {
      return (snapshotMan_->getCurrentSnapshot())->getCOMvel();
    }
 
    /**
     * Returns system Center of Mass angular momentum for stuntDouble frame from
     * snapshot
     */
    Vector3d getCOMw() {
      return (snapshotMan_->getCurrentSnapshot())->getCOMw();
    }
 
    /**
     * Returns system Center of Mass for stuntDouble frame from snapshot
     */
    Vector3d getCOM(int snapshotNo) {
      return (snapshotMan_->getSnapshot(snapshotNo))->getCOM();
    }
 
    /**
     * Returns system Center of Mass velocity for stuntDouble frame from
     * snapshot
     */
    Vector3d getCOMvel(int snapshotNo) {
      return (snapshotMan_->getSnapshot(snapshotNo))->getCOMvel();
    }
 
    /**
     * Returns system Center of Mass angular momentum for stuntDouble frame from
     * snapshot
     */
    Vector3d getCOMw(int snapshotNo) {
      return (snapshotMan_->getSnapshot(snapshotNo))->getCOMw();
    }
 
    /**
     * Returns the previous quaternion of this stuntDouble
     * @return the quaternion of this stuntDouble
     */
    Quat4d getPrevQ() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .aMat[localIndex_]
          .toQuaternion();
    }
 
    /**
     * Returns the current quaternion of this stuntDouble
     * @return the quaternion of this stuntDouble
     */
    Quat4d getQ() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .aMat[localIndex_]
          .toQuaternion();
    }
 
    /**
     * Returns the quaternion of this stuntDouble in specified snapshot
     * @return the quaternion of this stuntDouble
     * @param snapshotNo
     */
    Quat4d getQ(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .aMat[localIndex_]
          .toQuaternion();
    }
 
    /**
     * Sets  the previous quaternion of this stuntDouble
     * @param q  new quaternion
     * @note actual storage data is rotation matrix
     */
    void setPrevQ(const Quat4d& q) { setPrevA(q); }
 
    /**
     * Sets  the current quaternion of this stuntDouble
     * @param q  new quaternion
     * @note actual storage data is rotation matrix
     */
    void setQ(const Quat4d& q) { setA(q); }
 
    /**
     * Sets  the quaternion of this stuntDouble in specified snapshot
     *
     * @param q quaternion to be set
     * @param snapshotNo
     * @note actual storage data is rotation matrix
     */
    void setQ(const Quat4d& q, int snapshotNo) { setA(q, snapshotNo); }
 
    /**
     * Returns the previous euler angles of this stuntDouble
     * @return the euler angles of this stuntDouble
     */
    Vector3d getPrevEuler() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .aMat[localIndex_]
          .toEulerAngles();
    }
 
    /**
     * Returns the current euler angles of this stuntDouble
     * @return the euler angles of this stuntDouble
     */
    Vector3d getEuler() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .aMat[localIndex_]
          .toEulerAngles();
    }
 
    /**
     * Returns the euler angles of this stuntDouble in specified snapshot.
     * @return the euler angles of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getEuler(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .aMat[localIndex_]
          .toEulerAngles();
    }
 
    /**
     * Sets  the previous euler angles of this stuntDouble.
     * @param euler  new euler angles
     * @see #getEuler
     * @note actual storage data is rotation matrix
     */
    void setPrevEuler(const Vector3d& euler) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .aMat[localIndex_]
          .setupRotMat(euler);
    }
 
    /**
     * Sets  the current euler angles of this stuntDouble
     * @param euler  new euler angles
     */
    void setEuler(const Vector3d& euler) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .aMat[localIndex_]
          .setupRotMat(euler);
    }
 
    /**
     * Sets  the euler angles  of this stuntDouble in specified snapshot
     *
     * @param euler euler angles to be set
     * @param snapshotNo
     * @note actual storage data is rotation matrix
     */
    void setEuler(const Vector3d& euler, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .aMat[localIndex_]
          .setupRotMat(euler);
    }
 
    /**
     * Returns the previous dipole vector of this stuntDouble
     * @return the dipole vector of this stuntDouble
     */
    Vector3d getPrevDipole() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_).dipole[localIndex_];
    }
 
    /**
     * Returns the current dipole vector of this stuntDouble
     * @return the dipole vector of this stuntDouble
     */
    Vector3d getDipole() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .dipole[localIndex_];
    }
 
    /**
     * Returns the dipole vector of this stuntDouble in specified snapshot
     *
     * @return the dipole vector of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getDipole(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .dipole[localIndex_];
    }
 
    /**
     * Returns the previous quadrupole tensor of this stuntDouble
     * @return the quadrupole tensor of this stuntDouble
     */
    Mat3x3d getPrevQuadrupole() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .quadrupole[localIndex_];
    }
 
    /**
     * Returns the current quadrupole tensor of this stuntDouble
     * @return the quadrupole tensor of this stuntDouble
     */
    Mat3x3d getQuadrupole() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .quadrupole[localIndex_];
    }
 
    /**
     * Returns the quadrupole tensor of this stuntDouble in specified snapshot
     *
     * @return the quadrupole tensor of this stuntDouble
     * @param snapshotNo
     */
    Mat3x3d getQuadrupole(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .quadrupole[localIndex_];
    }
 
    /**
     * Returns the previous force of this stuntDouble
     * @return the force of this stuntDouble
     */
    Vector3d getPrevFrc() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_];
    }
 
    /**
     * Returns the current force of this stuntDouble
     * @return the force of this stuntDouble
     */
    Vector3d getFrc() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .force[localIndex_];
    }
 
    /**
     * Returns the force of this stuntDouble in specified snapshot
     *
     * @return the force of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getFrc(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .force[localIndex_];
    }
 
    /**
     * Sets  the previous force of this stuntDouble
     *
     * @param frc  new force
     * @see #getFrc
     */
    void setPrevFrc(const Vector3d& frc) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] = frc;
    }
 
    /**
     * Sets  the current force of this stuntDouble
     * @param frc  new force
     */
    void setFrc(const Vector3d& frc) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] =
          frc;
    }
 
    /**
     * Sets  the force of this stuntDouble in specified snapshot
     *
     * @param frc force to be set
     * @param snapshotNo
     * @see #getFrc
     */
    void setFrc(const Vector3d& frc, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] =
          frc;
    }
 
    /**
     * Adds force into the previous force of this stuntDouble
     *
     * @param frc  new force
     * @see #getFrc
     */
    void addPrevFrc(const Vector3d& frc) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] += frc;
    }
 
    /**
     * Adds force into the current force of this stuntDouble
     * @param frc  new force
     */
    void addFrc(const Vector3d& frc) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] +=
          frc;
    }
 
    /**
     * Adds force into the force of this stuntDouble in specified snapshot
     *
     * @param frc force to be set
     * @param snapshotNo
     * @see #getFrc
     */
    void addFrc(const Vector3d& frc, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] +=
          frc;
    }
 
    /**
     * Returns the previous torque of this stuntDouble
     * @return the torque of this stuntDouble
     */
    Vector3d getPrevTrq() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_];
    }
 
    /**
     * Returns the current torque of this stuntDouble
     * @return the torque of this stuntDouble
     */
    Vector3d getTrq() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .torque[localIndex_];
    }
 
    /**
     * Returns the torque of this stuntDouble in specified snapshot
     *
     * @return the torque of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getTrq(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .torque[localIndex_];
    }
 
    /**
     * Sets  the previous torque of this stuntDouble
     *
     * @param trq  new torque
     * @see #getTrq
     */
    void setPrevTrq(const Vector3d& trq) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] = trq;
    }
 
    /**
     * Sets  the current torque of this stuntDouble
     * @param trq  new torque
     */
    void setTrq(const Vector3d& trq) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] =
          trq;
    }
 
    /**
     * Sets  the torque of this stuntDouble in specified snapshot
     *
     * @param trq torque to be set
     * @param snapshotNo
     * @see #getTrq
     */
    void setTrq(const Vector3d& trq, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_] =
          trq;
    }
 
    /**
     * Adds torque into the previous torque of this stuntDouble
     *
     * @param trq  new torque
     * @see #getTrq
     */
    void addPrevTrq(const Vector3d& trq) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] += trq;
    }
 
    /**
     * Adds torque into the current torque of this stuntDouble
     * @param trq  new torque
     */
    void addTrq(const Vector3d& trq) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] +=
          trq;
    }
 
    /**
     * Adds torque into the torque of this stuntDouble in specified snapshot
     *
     * @param trq torque to be add
     * @param snapshotNo
     * @see #getTrq
     */
    void addTrq(const Vector3d& trq, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .torque[localIndex_] += trq;
    }
 
    /**
     * Returns the previous particlePot of this stuntDouble
     * @return the particlePot of this stuntDouble
     */
    RealType getPrevParticlePot() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .particlePot[localIndex_];
    }
 
    /**
     * Returns the current particlePot of this stuntDouble
     * @return the particlePot of this stuntDouble
     */
    RealType getParticlePot() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .particlePot[localIndex_];
    }
 
    /**
     * Returns the particlePot of this stuntDouble in specified snapshot
     *
     * @return the particlePot of this stuntDouble
     * @param snapshotNo
     */
    RealType getParticlePot(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .particlePot[localIndex_];
    }
 
    /**
     * Sets  the previous particlePot of this stuntDouble
     *
     * @param particlePot  new particlePot
     * @see #getParticlePot
     */
    void setPrevParticlePot(const RealType& particlePot) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] =
          particlePot;
    }
 
    /**
     * Sets  the current particlePot of this stuntDouble
     * @param particlePot  new particlePot
     */
    void setParticlePot(const RealType& particlePot) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .particlePot[localIndex_] = particlePot;
    }
 
    /**
     * Sets  the particlePot of this stuntDouble in specified snapshot
     *
     * @param particlePot particlePot to be set
     * @param snapshotNo
     * @see #getParticlePot
     */
    void setParticlePot(const RealType& particlePot, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .particlePot[localIndex_] = particlePot;
    }
 
    /**
     * Adds particlePot into the previous particlePot of this stuntDouble
     *
     * @param particlePot  new particlePot
     * @see #getParticlePot
     */
    void addPrevParticlePot(const RealType& particlePot) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] +=
          particlePot;
    }
 
    /**
     * Adds particlePot into the current particlePot of this stuntDouble
     * @param particlePot  new particlePot
     */
    void addParticlePot(const RealType& particlePot) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .particlePot[localIndex_] += particlePot;
    }
 
    /**
     * Adds particlePot into the particlePot of this stuntDouble in specified
     * snapshot
     *
     * @param particlePot particlePot to be add
     * @param snapshotNo
     * @see #getParticlePot
     */
    void addParticlePot(const RealType& particlePot, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .particlePot[localIndex_] += particlePot;
    }
 
    /**
     * Returns the previous fluctuating charge of this stuntDouble
     * @return the fluctuating charge of this stuntDouble
     */
    RealType getPrevFlucQPos() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .flucQPos[localIndex_];
    }
 
    /**
     * Returns the current fluctuating charge of this stuntDouble
     * @return the fluctuating charge of this stuntDouble
     */
    RealType getFlucQPos() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .flucQPos[localIndex_];
    }
 
    /**
     * Returns the fluctuating charge of this stuntDouble in specified snapshot
     * @return the fluctuating charge of this stuntDouble
     * @param snapshotNo
     */
    RealType getFlucQPos(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQPos[localIndex_];
    }
 
    /**
     * Sets  the previous fluctuating charge of this stuntDouble
     * @param charge  new fluctuating charge
     * @see #getFlucQPos
     */
    void setPrevFlucQPos(RealType charge) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] =
          charge;
    }
 
    /**
     * Sets  the current fluctuating charge of this stuntDouble
     * @param charge  new fluctuating charge
     */
    void setFlucQPos(RealType charge) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] =
          charge;
    }
 
    /**
     * Sets  the fluctuating charge of this stuntDouble in specified snapshot
     * @param charge fluctuating charge to be set
     * @param snapshotNo
     * @see #getFlucQPos
     */
    void setFlucQPos(RealType charge, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQPos[localIndex_] = charge;
    }
 
    /**
     * Adds fluctuating charge into the previous fluctuating charge of this
     * stuntDouble
     * @param charge  new fluctuating charge
     * @see #getFlucQPos
     */
    void addPrevFlucQPos(RealType charge) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] +=
          charge;
    }
 
    /**
     * Adds fluctuating charge into the current fluctuating charge of this
     * stuntDouble
     * @param charge  new fluctuating charge
     */
    void addFlucQPos(RealType charge) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] +=
          charge;
    }
 
    /**
     * Adds fluctuating charge into the fluctuating charge of this stuntDouble
     * in specified snapshot
     * @param charge fluctuating charge to be add
     * @param snapshotNo
     * @see #getFlucQPos
     */
    void addFlucQPos(RealType charge, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQPos[localIndex_] += charge;
    }
 
    /**
     * Returns the previous charge velocity of this stuntDouble
     * @return the charge velocity of this stuntDouble
     */
    RealType getPrevFlucQVel() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .flucQVel[localIndex_];
    }
 
    /**
     * Returns the current charge velocity of this stuntDouble
     * @return the charge velocity of this stuntDouble
     */
    RealType getFlucQVel() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .flucQVel[localIndex_];
    }
 
    /**
     * Returns the charge velocity of this stuntDouble in specified snapshot
     * @return the charge velocity of this stuntDouble
     * @param snapshotNo
     */
    RealType getFlucQVel(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQVel[localIndex_];
    }
 
    /**
     * Sets  the previous charge velocity of this stuntDouble
     * @param cvel  new charge velocity
     * @see #getFlucQVel
     */
    void setPrevFlucQVel(RealType cvel) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] =
          cvel;
    }
 
    /**
     * Sets  the current charge velocity of this stuntDouble
     * @param cvel  new charge velocity
     */
    void setFlucQVel(RealType cvel) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] =
          cvel;
    }
 
    /**
     * Sets  the charge velocity of this stuntDouble in specified snapshot
     * @param cvel charge velocity to be set
     * @param snapshotNo
     * @see #getFlucQVel
     */
    void setFlucQVel(RealType cvel, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQVel[localIndex_] = cvel;
    }
 
    /**
     * Adds charge velocity into the previous charge velocity of this
     * stuntDouble
     * @param cvel  new charge velocity
     * @see #getFlucQVel
     */
    void addPrevFlucQVel(RealType cvel) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] +=
          cvel;
    }
 
    /**
     * Adds charge velocity into the current charge velocity of this stuntDouble
     * @param cvel  new charge velocity
     */
    void addFlucQVel(RealType cvel) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] +=
          cvel;
    }
 
    /**
     * Adds charge velocity into the charge velocity of this stuntDouble in
     * specified snapshot
     * @param cvel charge velocity to be add
     * @param snapshotNo
     * @see #getFlucQVel
     */
    void addFlucQVel(RealType cvel, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQVel[localIndex_] += cvel;
    }
 
    /**
     * Returns the previous charge force of this stuntDouble
     * @return the charge force of this stuntDouble
     */
    RealType getPrevFlucQFrc() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .flucQFrc[localIndex_];
    }
 
    /**
     * Returns the current charge force of this stuntDouble
     * @return the charge force of this stuntDouble
     */
    RealType getFlucQFrc() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .flucQFrc[localIndex_];
    }
 
    /**
     * Returns the charge force of this stuntDouble in specified snapshot
     * @return the charge force of this stuntDouble
     * @param snapshotNo
     */
    RealType getFlucQFrc(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQFrc[localIndex_];
    }
 
    /**
     * Sets  the previous charge force of this stuntDouble
     * @param cfrc  new charge force
     * @see #getFlucQFrc
     */
    void setPrevFlucQFrc(RealType cfrc) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] =
          cfrc;
    }
 
    /**
     * Sets  the current charge force of this stuntDouble
     * @param cfrc  new charge force
     */
    void setFlucQFrc(RealType cfrc) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] =
          cfrc;
    }
 
    /**
     * Sets  the charge force of this stuntDouble in specified snapshot
     * @param cfrc charge force to be set
     * @param snapshotNo
     * @see #getFlucQFrc
     */
    void setFlucQFrc(RealType cfrc, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQFrc[localIndex_] = cfrc;
    }
 
    /**
     * Adds charge force into the previous charge force of this stuntDouble
     * @param cfrc   charge force to be added
     * @see #getFlucQFrc
     */
    void addPrevFlucQFrc(RealType cfrc) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] +=
          cfrc;
    }
 
    /**
     * Adds charge force into the current charge force of this stuntDouble
     * @param cfrc   charge force to be added
     */
    void addFlucQFrc(RealType cfrc) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] +=
          cfrc;
    }
 
    /**
     * Adds charge force into the charge force of this stuntDouble in specified
     * snapshot
     * @param cfrc charge force to be added
     * @param snapshotNo
     * @see #getFlucQFrc
     */
    void addFlucQFrc(RealType cfrc, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .flucQFrc[localIndex_] += cfrc;
    }
 
    /**
     * Returns the previous electric field of this stuntDouble
     * @return the electric field of this stuntDouble
     */
    Vector3d getPrevElectricField() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .electricField[localIndex_];
    }
 
    /**
     * Returns the current electric field of this stuntDouble
     * @return the electric field of this stuntDouble
     */
    Vector3d getElectricField() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .electricField[localIndex_];
    }
 
    /**
     * Returns the electric field of this stuntDouble in specified snapshot
     * @return the electric field of this stuntDouble
     * @param snapshotNo
     */
    Vector3d getElectricField(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .electricField[localIndex_];
    }
 
    /**
     * Sets the previous electric field of this stuntDouble
     * @param eField  new electric field
     * @see #getElectricField
     */
    void setPrevElectricField(const Vector3d& eField) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .electricField[localIndex_] = eField;
    }
 
    /**
     * Sets the current electric field of this stuntDouble
     * @param eField  new electric field
     */
    void setElectricField(const Vector3d& eField) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .electricField[localIndex_] = eField;
    }
 
    /**
     * Sets the electric field of this stuntDouble in specified snapshot
     * @param eField electric field to be set
     * @param snapshotNo
     * @see #getElectricField
     */
    void setElectricField(const Vector3d& eField, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .electricField[localIndex_] = eField;
    }
 
    /**
     * Adds electric field into the previous electric field of this
     * stuntDouble
     *
     * @param eField new electric field
     * @see #getElectricField
     */
    void addPrevElectricField(const Vector3d& eField) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .electricField[localIndex_] += eField;
    }
 
    /**
     * Adds electric field into the current electric field of this stuntDouble
     * @param eField  new electric field
     */
    void addElectricField(const Vector3d& eField) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .electricField[localIndex_] += eField;
    }
 
    /**
     * Adds electric field into the electric field of this stuntDouble in
     * specified snapshot
     *
     * @param eField electric field to be added
     * @param snapshotNo
     * @see #getElectricField
     */
    void addElectricField(const Vector3d& eField, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .electricField[localIndex_] += eField;
    }
 
    /**
     * Returns the previous site potential of this stuntDouble
     * @return the site potential of this stuntDouble
     */
    RealType getPrevSitePotential() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .sitePotential[localIndex_];
    }
 
    /**
     * Returns the current site potential of this stuntDouble
     * @return the site potential of this stuntDouble
     */
    RealType getSitePotential() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .sitePotential[localIndex_];
    }
 
    /**
     * Returns the site potential of this stuntDouble in specified snapshot
     * @return the site potential of this stuntDouble
     * @param snapshotNo
     */
    RealType getSitePotential(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .sitePotential[localIndex_];
    }
 
    /**
     * Sets  the previous site potential of this stuntDouble
     * @param spot  new site potential
     * @see #getSitePotential
     */
    void setPrevSitePotential(RealType spot) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .sitePotential[localIndex_] = spot;
    }
 
    /**
     * Sets  the current site potential of this stuntDouble
     * @param spot  new site potential
     */
    void setSitePotential(RealType spot) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .sitePotential[localIndex_] = spot;
    }
 
    /**
     * Sets  the site potential of this stuntDouble in specified snapshot
     * @param spot site potential to be set
     * @param snapshotNo
     * @see #getSitePotential
     */
    void setSitePotential(RealType spot, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .sitePotential[localIndex_] = spot;
    }
 
    /**
     * Adds site potential into the previous charge force of this stuntDouble
     * @param spot   site potential to be added
     * @see #getSitePotential
     */
    void addPrevSitePotential(RealType spot) {
      ((snapshotMan_->getPrevSnapshot())->*storage_)
          .sitePotential[localIndex_] += spot;
    }
 
    /**
     * Adds site potential into the current charge force of this stuntDouble
     * @param spot   site potential to be added
     */
    void addSitePotential(RealType spot) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .sitePotential[localIndex_] += spot;
    }
 
    /**
     * Adds site potential into the site potential of this stuntDouble in
     * specified snapshot
     * @param spot site potential to be added
     * @param snapshotNo
     * @see #getSitePotential
     */
    void addSitePotential(RealType spot, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .sitePotential[localIndex_] += spot;
    }
 
    /**
     * Returns the previous density of this stuntDouble
     * @return the density of this stuntDouble
     */
    RealType getPrevDensity() {
      return ((snapshotMan_->getPrevSnapshot())->*storage_)
          .density[localIndex_];
    }
 
    /**
     * Returns the current density of this stuntDouble
     * @return the density of this stuntDouble
     */
    RealType getDensity() {
      return ((snapshotMan_->getCurrentSnapshot())->*storage_)
          .density[localIndex_];
    }
 
    /**
     * Returns the density of this stuntDouble in specified snapshot
     * @return the density of this stuntDouble
     * @param snapshotNo
     */
    RealType getDensity(int snapshotNo) {
      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .density[localIndex_];
    }
 
    /**
     * Sets  the previous density of this stuntDouble
     * @param dens  new density
     * @see #getDensity
     */
    void setPrevDensity(RealType dens) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).density[localIndex_] =
          dens;
    }
 
    /**
     * Sets  the current density of this stuntDouble
     * @param dens  new density
     */
    void setDensity(RealType dens) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).density[localIndex_] =
          dens;
    }
 
    /**
     * Sets  the density of this stuntDouble in specified snapshot
     * @param dens density to be set
     * @param snapshotNo
     * @see #getDensity
     */
    void setDensity(RealType dens, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .density[localIndex_] = dens;
    }
 
    /**
     * Adds density into the previous charge force of this stuntDouble
     * @param dens   density to be added
     * @see #getDensity
     */
    void addPrevDensity(RealType dens) {
      ((snapshotMan_->getPrevSnapshot())->*storage_).density[localIndex_] +=
          dens;
    }
 
    /**
     * Adds density into the current charge force of this stuntDouble
     * @param dens   density to be added
     */
    void addDensity(RealType dens) {
      ((snapshotMan_->getCurrentSnapshot())->*storage_).density[localIndex_] +=
          dens;
    }
 
    /**
     * Adds density into the density of this stuntDouble in specified snapshot
     * @param dens density to be added
     * @param snapshotNo
     * @see #getDensity
     */
    void addDensity(RealType dens, int snapshotNo) {
      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_)
          .density[localIndex_] += dens;
    }
 
    /**
     * Set the properties of this stuntDouble to zero
     */
    void zeroForcesAndTorques();
 
    /**
     * Linearly combines the properties from two different snapshots
     *
     * @param snapA The properties from this snapshot are multiplied by \c multA
     * @param snapB The properties from this snapshot are multiplied by \c multB
     * @param multA Multiplier for the properties in \c snapA
     * @param multB Multiplier for the properties in \c snapB
     */
    void combineForcesAndTorques(Snapshot* snapA, Snapshot* snapB,
                                 RealType multA, RealType multB);
 
    /**
     * Returns the inertia tensor of this stuntDouble
     * @return the inertia tensor of this stuntDouble
     */
    virtual Mat3x3d getI() = 0;
 
    /**
     * Returns the gradient of this stuntDouble
     * @return the gradient of this stuntDouble
     */
    virtual std::vector<RealType> getGrad() = 0;
 
    /**
     * Tests the  if this stuntDouble is a  linear rigidbody
     *
     * @return true if this stuntDouble is a  linear rigidbody, otherwise
     * return false
     * @note atom and directional atom will always return false
     *
     * @see #linearAxis
     */
    bool isLinear() { return linear_; }
 
    /**
     * Returns the linear axis of the rigidbody, atom and directional atom
     * will always return -1
     *
     * @return the linear axis of the rigidbody
     *
     * @see #isLinear
     */
    int linearAxis() { return linearAxis_; }
 
    /** Returns the mass of this stuntDouble */
    RealType getMass() { return mass_; }
 
    /**
     * Sets the mass of this stuntdoulbe
     * @param mass the mass to be set
     */
    void setMass(RealType mass) { mass_ = mass; }
 
    /** Returns the name of this stuntDouble */
    virtual std::string getType() = 0;
 
    /** Sets the name of this stuntDouble*/
    virtual void setType(const std::string&) {}
 
    /**
     * Converts a lab fixed vector to a body fixed vector.
     * @return body fixed vector
     * @param v lab fixed vector
     */
    Vector3d lab2Body(const Vector3d& v) { return getA() * v; }
 
    Vector3d lab2Body(const Vector3d& v, int frame) { return getA(frame) * v; }
 
    /**
     * Converts a body fixed vector to a lab fixed vector.
     * @return corresponding lab fixed vector
     * @param v body fixed vector
     */
    Vector3d body2Lab(const Vector3d& v) { return getA().transpose() * v; }
 
    Vector3d body2Lab(const Vector3d& v, int frame) {
      return getA(frame).transpose() * v;
    }
 
    /**
     * <p>
     * The purpose of the Visitor Pattern is to encapsulate an
     * operation that you want to perform on the elements of a data
     * structure. In this way, you can change the operation being
     * performed on a structure without the need of changing the
     * classes of the elements that you are operating on. Using a
     * Visitor pattern allows you to decouple the classes for the data
     * structure and the algorithms used upon them
     * </p>
     * @param v visitor
     */
    virtual void accept(BaseVisitor* v) = 0;
 
    // below functions are just forward functions
    /**
     * Adds property into property map
     * @param genData GenericData to be added into PropertyMap
     */
    void addProperty(std::shared_ptr<GenericData> genData);
 
    /**
     * Removes property from PropertyMap by name
     * @param propName the name of property to be removed
     */
    void removeProperty(const std::string& propName);
 
    /**
     * Returns all names of properties
     * @return all names of properties
     */
    std::vector<std::string> getPropertyNames();
 
    /**
     * Returns all of the properties in PropertyMap
     * @return all of the properties in PropertyMap
     */
    std::vector<std::shared_ptr<GenericData>> getProperties();
 
    /**
     * Returns property
     * @param propName name of property
     * @return a pointer point to property with propName. If no property named
     * propName exists, return NULL
     */
    std::shared_ptr<GenericData> getPropertyByName(const std::string& propName);
 
  protected:
    StuntDouble(ObjectType objType, DataStoragePointer storage);
 
    StuntDouble(const StuntDouble& sd);
    StuntDouble& operator=(const StuntDouble& sd);
 
    ObjectType objType_;
    DataStoragePointer storage_;
    SnapshotManager* snapshotMan_;
 
    bool linear_;
    int linearAxis_;
 
    int globalIndex_;
    int globalIntegrableObjectIndex_;
    int localIndex_;
 
    RealType mass_;
 
  private:
    PropertyMap properties_;
  };
}  // namespace OpenMD
 
#endif  // PRIMITIVES_STUNTDOUBLE_HPP