"Don't move, or you're dead! Stand up! Captain, we've got them!" More...

#include "Primitives/StuntDouble.hpp"

Inheritance diagram for OpenMD::StuntDouble:

Public Types
enum	ObjectType { otAtom , otDAtom , otRigidBody }

Public Member Functions
int	getGlobalIndex ()
	Returns the global index of this stuntDouble.

void	setGlobalIndex (int index)
	Sets the global index of this stuntDouble.

int	getLocalIndex ()
	Returns the local index of this stuntDouble.

void	setLocalIndex (int index)
	Sets the local index of this stuntDouble.

int	getGlobalIntegrableObjectIndex ()

void	setGlobalIntegrableObjectIndex (int index)

void	setSnapshotManager (SnapshotManager *sman)
	Sets the Snapshot Manager of this stuntDouble.

bool	isAtom ()
	Tests if this stuntDouble is an atom.

bool	isDirectionalAtom ()
	Tests if this stuntDouble is an directional atom.

bool	isRigidBody ()
	Tests if this stuntDouble is a rigid body.

bool	isDirectional ()
	Tests if this stuntDouble is a directional one.

int	freeze ()
	Freezes out all velocity, angular velocity, forces and torques on this StuntDouble.

Vector3d	getPrevPos ()
	Returns the previous position of this stuntDouble.

Vector3d	getPos ()
	Returns the current position of this stuntDouble.

Vector3d	getPos (int snapshotNo)
	Returns the position of this stuntDouble in specified snapshot.

void	setPrevPos (const Vector3d &pos)
	Sets the previous position of this stuntDouble.

void	setPos (const Vector3d &pos)
	Sets the current position of this stuntDouble.

void	setPos (const Vector3d &pos, int snapshotNo)
	Sets the position of this stuntDouble in specified snapshot.

Vector3d	getPrevVel ()
	Returns the previous velocity of this stuntDouble.

Vector3d	getVel ()
	Returns the current velocity of this stuntDouble.

Vector3d	getVel (int snapshotNo)
	Returns the velocity of this stuntDouble in specified snapshot.

Vector3d	getVel (Snapshot *snapshot)

void	setPrevVel (const Vector3d &vel)
	Sets the previous velocity of this stuntDouble.

void	setVel (const Vector3d &vel)
	Sets the current velocity of this stuntDouble.

void	setVel (const Vector3d &vel, int snapshotNo)
	Sets the velocity of this stuntDouble in specified snapshot.

RotMat3x3d	getPrevA ()
	Returns the previous rotation matrix of this stuntDouble.

RotMat3x3d	getA ()
	Returns the current rotation matrix of this stuntDouble.

RotMat3x3d	getA (int snapshotNo)
	Returns the rotation matrix of this stuntDouble in specified snapshot.

virtual void	setPrevA (const RotMat3x3d &a)
	Sets the previous rotation matrix of this stuntDouble.

virtual void	setA (const RotMat3x3d &a)
	Sets the current rotation matrix of this stuntDouble.

virtual void	setA (const RotMat3x3d &a, int snapshotNo)
	Sets the rotation matrix of this stuntDouble in specified snapshot.

Vector3d	getPrevJ ()
	Returns the previous angular momentum of this stuntDouble (body-fixed).

Vector3d	getJ ()
	Returns the current angular momentum of this stuntDouble (body -fixed).

Vector3d	getJ (int snapshotNo)
	Returns the angular momentum of this stuntDouble in specified snapshot (body-fixed).

void	setPrevJ (const Vector3d &angMom)
	Sets the previous angular momentum of this stuntDouble (body-fixed).

void	setJ (const Vector3d &angMom)
	Sets the current angular momentum of this stuntDouble (body-fixed).

void	setJ (const Vector3d &angMom, int snapshotNo)
	Sets the angular momentum of this stuntDouble in specified snapshot(body-fixed).

Vector3d	getCOM ()
	Returns system Center of Mass for stuntDouble frame from snapshot.

Vector3d	getCOMvel ()
	Returns system Center of Mass velocity for stuntDouble frame from snapshot.

Vector3d	getCOMw ()
	Returns system Center of Mass angular momentum for stuntDouble frame from snapshot.

Vector3d	getCOM (int snapshotNo)
	Returns system Center of Mass for stuntDouble frame from snapshot.

Vector3d	getCOMvel (int snapshotNo)
	Returns system Center of Mass velocity for stuntDouble frame from snapshot.

Vector3d	getCOMw (int snapshotNo)
	Returns system Center of Mass angular momentum for stuntDouble frame from snapshot.

Quat4d	getPrevQ ()
	Returns the previous quaternion of this stuntDouble.

Quat4d	getQ ()
	Returns the current quaternion of this stuntDouble.

Quat4d	getQ (int snapshotNo)
	Returns the quaternion of this stuntDouble in specified snapshot.

void	setPrevQ (const Quat4d &q)
	Sets the previous quaternion of this stuntDouble.

void	setQ (const Quat4d &q)
	Sets the current quaternion of this stuntDouble.

void	setQ (const Quat4d &q, int snapshotNo)
	Sets the quaternion of this stuntDouble in specified snapshot.

Vector3d	getPrevEuler ()
	Returns the previous euler angles of this stuntDouble.

Vector3d	getEuler ()
	Returns the current euler angles of this stuntDouble.

Vector3d	getEuler (int snapshotNo)
	Returns the euler angles of this stuntDouble in specified snapshot.

void	setPrevEuler (const Vector3d &euler)
	Sets the previous euler angles of this stuntDouble.

void	setEuler (const Vector3d &euler)
	Sets the current euler angles of this stuntDouble.

void	setEuler (const Vector3d &euler, int snapshotNo)
	Sets the euler angles of this stuntDouble in specified snapshot.

Vector3d	getPrevDipole ()
	Returns the previous dipole vector of this stuntDouble.

Vector3d	getDipole ()
	Returns the current dipole vector of this stuntDouble.

Vector3d	getDipole (int snapshotNo)
	Returns the dipole vector of this stuntDouble in specified snapshot.

Mat3x3d	getPrevQuadrupole ()
	Returns the previous quadrupole tensor of this stuntDouble.

Mat3x3d	getQuadrupole ()
	Returns the current quadrupole tensor of this stuntDouble.

Mat3x3d	getQuadrupole (int snapshotNo)
	Returns the quadrupole tensor of this stuntDouble in specified snapshot.

Vector3d	getPrevFrc ()
	Returns the previous force of this stuntDouble.

Vector3d	getFrc ()
	Returns the current force of this stuntDouble.

Vector3d	getFrc (int snapshotNo)
	Returns the force of this stuntDouble in specified snapshot.

void	setPrevFrc (const Vector3d &frc)
	Sets the previous force of this stuntDouble.

void	setFrc (const Vector3d &frc)
	Sets the current force of this stuntDouble.

void	setFrc (const Vector3d &frc, int snapshotNo)
	Sets the force of this stuntDouble in specified snapshot.

void	addPrevFrc (const Vector3d &frc)
	Adds force into the previous force of this stuntDouble.

void	addFrc (const Vector3d &frc)
	Adds force into the current force of this stuntDouble.

void	addFrc (const Vector3d &frc, int snapshotNo)
	Adds force into the force of this stuntDouble in specified snapshot.

Vector3d	getPrevTrq ()
	Returns the previous torque of this stuntDouble.

Vector3d	getTrq ()
	Returns the current torque of this stuntDouble.

Vector3d	getTrq (int snapshotNo)
	Returns the torque of this stuntDouble in specified snapshot.

void	setPrevTrq (const Vector3d &trq)
	Sets the previous torque of this stuntDouble.

void	setTrq (const Vector3d &trq)
	Sets the current torque of this stuntDouble.

void	setTrq (const Vector3d &trq, int snapshotNo)
	Sets the torque of this stuntDouble in specified snapshot.

void	addPrevTrq (const Vector3d &trq)
	Adds torque into the previous torque of this stuntDouble.

void	addTrq (const Vector3d &trq)
	Adds torque into the current torque of this stuntDouble.

void	addTrq (const Vector3d &trq, int snapshotNo)
	Adds torque into the torque of this stuntDouble in specified snapshot.

RealType	getPrevParticlePot ()
	Returns the previous particlePot of this stuntDouble.

RealType	getParticlePot ()
	Returns the current particlePot of this stuntDouble.

RealType	getParticlePot (int snapshotNo)
	Returns the particlePot of this stuntDouble in specified snapshot.

void	setPrevParticlePot (const RealType &particlePot)
	Sets the previous particlePot of this stuntDouble.

void	setParticlePot (const RealType &particlePot)
	Sets the current particlePot of this stuntDouble.

void	setParticlePot (const RealType &particlePot, int snapshotNo)
	Sets the particlePot of this stuntDouble in specified snapshot.

void	addPrevParticlePot (const RealType &particlePot)
	Adds particlePot into the previous particlePot of this stuntDouble.

void	addParticlePot (const RealType &particlePot)
	Adds particlePot into the current particlePot of this stuntDouble.

void	addParticlePot (const RealType &particlePot, int snapshotNo)
	Adds particlePot into the particlePot of this stuntDouble in specified snapshot.

RealType	getPrevFlucQPos ()
	Returns the previous fluctuating charge of this stuntDouble.

RealType	getFlucQPos ()
	Returns the current fluctuating charge of this stuntDouble.

RealType	getFlucQPos (int snapshotNo)
	Returns the fluctuating charge of this stuntDouble in specified snapshot.

void	setPrevFlucQPos (RealType charge)
	Sets the previous fluctuating charge of this stuntDouble.

void	setFlucQPos (RealType charge)
	Sets the current fluctuating charge of this stuntDouble.

void	setFlucQPos (RealType charge, int snapshotNo)
	Sets the fluctuating charge of this stuntDouble in specified snapshot.

void	addPrevFlucQPos (RealType charge)
	Adds fluctuating charge into the previous fluctuating charge of this stuntDouble.

void	addFlucQPos (RealType charge)
	Adds fluctuating charge into the current fluctuating charge of this stuntDouble.

void	addFlucQPos (RealType charge, int snapshotNo)
	Adds fluctuating charge into the fluctuating charge of this stuntDouble in specified snapshot.

RealType	getPrevFlucQVel ()
	Returns the previous charge velocity of this stuntDouble.

RealType	getFlucQVel ()
	Returns the current charge velocity of this stuntDouble.

RealType	getFlucQVel (int snapshotNo)
	Returns the charge velocity of this stuntDouble in specified snapshot.

void	setPrevFlucQVel (RealType cvel)
	Sets the previous charge velocity of this stuntDouble.

void	setFlucQVel (RealType cvel)
	Sets the current charge velocity of this stuntDouble.

void	setFlucQVel (RealType cvel, int snapshotNo)
	Sets the charge velocity of this stuntDouble in specified snapshot.

void	addPrevFlucQVel (RealType cvel)
	Adds charge velocity into the previous charge velocity of this stuntDouble.

void	addFlucQVel (RealType cvel)
	Adds charge velocity into the current charge velocity of this stuntDouble.

void	addFlucQVel (RealType cvel, int snapshotNo)
	Adds charge velocity into the charge velocity of this stuntDouble in specified snapshot.

RealType	getPrevFlucQFrc ()
	Returns the previous charge force of this stuntDouble.

RealType	getFlucQFrc ()
	Returns the current charge force of this stuntDouble.

RealType	getFlucQFrc (int snapshotNo)
	Returns the charge force of this stuntDouble in specified snapshot.

void	setPrevFlucQFrc (RealType cfrc)
	Sets the previous charge force of this stuntDouble.

void	setFlucQFrc (RealType cfrc)
	Sets the current charge force of this stuntDouble.

void	setFlucQFrc (RealType cfrc, int snapshotNo)
	Sets the charge force of this stuntDouble in specified snapshot.

void	addPrevFlucQFrc (RealType cfrc)
	Adds charge force into the previous charge force of this stuntDouble.

void	addFlucQFrc (RealType cfrc)
	Adds charge force into the current charge force of this stuntDouble.

void	addFlucQFrc (RealType cfrc, int snapshotNo)
	Adds charge force into the charge force of this stuntDouble in specified snapshot.

Vector3d	getPrevElectricField ()
	Returns the previous electric field of this stuntDouble.

Vector3d	getElectricField ()
	Returns the current electric field of this stuntDouble.

Vector3d	getElectricField (int snapshotNo)
	Returns the electric field of this stuntDouble in specified snapshot.

void	setPrevElectricField (const Vector3d &eField)
	Sets the previous electric field of this stuntDouble.

void	setElectricField (const Vector3d &eField)
	Sets the current electric field of this stuntDouble.

void	setElectricField (const Vector3d &eField, int snapshotNo)
	Sets the electric field of this stuntDouble in specified snapshot.

void	addPrevElectricField (const Vector3d &eField)
	Adds electric field into the previous electric field of this stuntDouble.

void	addElectricField (const Vector3d &eField)
	Adds electric field into the current electric field of this stuntDouble.

void	addElectricField (const Vector3d &eField, int snapshotNo)
	Adds electric field into the electric field of this stuntDouble in specified snapshot.

RealType	getPrevSitePotential ()
	Returns the previous site potential of this stuntDouble.

RealType	getSitePotential ()
	Returns the current site potential of this stuntDouble.

RealType	getSitePotential (int snapshotNo)
	Returns the site potential of this stuntDouble in specified snapshot.

void	setPrevSitePotential (RealType spot)
	Sets the previous site potential of this stuntDouble.

void	setSitePotential (RealType spot)
	Sets the current site potential of this stuntDouble.

void	setSitePotential (RealType spot, int snapshotNo)
	Sets the site potential of this stuntDouble in specified snapshot.

void	addPrevSitePotential (RealType spot)
	Adds site potential into the previous charge force of this stuntDouble.

void	addSitePotential (RealType spot)
	Adds site potential into the current charge force of this stuntDouble.

void	addSitePotential (RealType spot, int snapshotNo)
	Adds site potential into the site potential of this stuntDouble in specified snapshot.

RealType	getPrevDensity ()
	Returns the previous density of this stuntDouble.

RealType	getDensity ()
	Returns the current density of this stuntDouble.

RealType	getDensity (int snapshotNo)
	Returns the density of this stuntDouble in specified snapshot.

void	setPrevDensity (RealType dens)
	Sets the previous density of this stuntDouble.

void	setDensity (RealType dens)
	Sets the current density of this stuntDouble.

void	setDensity (RealType dens, int snapshotNo)
	Sets the density of this stuntDouble in specified snapshot.

void	addPrevDensity (RealType dens)
	Adds density into the previous charge force of this stuntDouble.

void	addDensity (RealType dens)
	Adds density into the current charge force of this stuntDouble.

void	addDensity (RealType dens, int snapshotNo)
	Adds density into the density of this stuntDouble in specified snapshot.

void	zeroForcesAndTorques ()
	Set the properties of this stuntDouble to zero.

void	combineForcesAndTorques (Snapshot snapA, Snapshot snapB, RealType multA, RealType multB)
	Linearly combines the properties from two different snapshots.

virtual Mat3x3d	getI ()=0
	Returns the inertia tensor of this stuntDouble.

virtual std::vector< RealType >	getGrad ()=0
	Returns the gradient of this stuntDouble.

bool	isLinear ()
	Tests the if this stuntDouble is a linear rigidbody.

int	linearAxis ()
	Returns the linear axis of the rigidbody, atom and directional atom will always return -1.

RealType	getMass ()
	Returns the mass of this stuntDouble.

void	setMass (RealType mass)
	Sets the mass of this stuntdoulbe.

virtual std::string	getType ()=0
	Returns the name of this stuntDouble.

virtual void	setType (const std::string &)
	Sets the name of this stuntDouble.

Vector3d	lab2Body (const Vector3d &v)
	Converts a lab fixed vector to a body fixed vector.

Vector3d	lab2Body (const Vector3d &v, int frame)

Vector3d	body2Lab (const Vector3d &v)
	Converts a body fixed vector to a lab fixed vector.

Vector3d	body2Lab (const Vector3d &v, int frame)

virtual void	accept (BaseVisitor *v)=0

void	addProperty (std::shared_ptr< GenericData > genData)
	Adds property into property map.

void	removeProperty (const std::string &propName)
	Removes property from PropertyMap by name.

std::vector< std::string >	getPropertyNames ()
	Returns all names of properties.

std::vector< std::shared_ptr< GenericData > >	getProperties ()
	Returns all of the properties in PropertyMap.

std::shared_ptr< GenericData >	getPropertyByName (const std::string &propName)
	Returns property.

Protected Member Functions
	StuntDouble (ObjectType objType, DataStoragePointer storage)

	StuntDouble (const StuntDouble &sd)

StuntDouble &	operator= (const StuntDouble &sd)

Protected Attributes
ObjectType	objType_

DataStoragePointer	storage_

SnapshotManager *	snapshotMan_

bool	linear_

int	linearAxis_

int	globalIndex_

int	globalIntegrableObjectIndex_

int	localIndex_

RealType	mass_

Detailed Description

"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

Definition at line 91 of file StuntDouble.hpp.

Member Enumeration Documentation

◆ ObjectType

enum OpenMD::StuntDouble::ObjectType

Definition at line 93 of file StuntDouble.hpp.

Constructor & Destructor Documentation

◆ StuntDouble()

OpenMD::StuntDouble::StuntDouble	(	ObjectType	objType,
		DataStoragePointer	storage )

protected

Definition at line 59 of file StuntDouble.cpp.

Member Function Documentation

◆ accept()

virtual void OpenMD::StuntDouble::accept ( BaseVisitor * v )

pure virtual

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

Parameters

v visitor

Implemented in OpenMD::Atom, OpenMD::Atom, OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Referenced by OpenMD::ConstraintElem::accept().

◆ addDensity() [1/2]

void OpenMD::StuntDouble::addDensity ( RealType dens )

inline

Adds density into the current charge force of this stuntDouble.

Parameters

dens	density to be added

Definition at line 1440 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addDensity() [2/2]

void OpenMD::StuntDouble::addDensity	(	RealType	dens,
		int	snapshotNo )

inline

Adds density into the density of this stuntDouble in specified snapshot.

Parameters

dens	density to be added
snapshotNo

See also: getDensity

Definition at line 1451 of file StuntDouble.hpp.

◆ addElectricField() [1/2]

void OpenMD::StuntDouble::addElectricField ( const Vector3d & eField )

inline

Adds electric field into the current electric field of this stuntDouble.

Parameters

eField new electric field

Definition at line 1261 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addElectricField() [2/2]

void OpenMD::StuntDouble::addElectricField	(	const Vector3d &	eField,
		int	snapshotNo )

inline

Adds electric field into the electric field of this stuntDouble in specified snapshot.

Parameters

eField	electric field to be added
snapshotNo

See also: getElectricField

Definition at line 1274 of file StuntDouble.hpp.

◆ addFlucQFrc() [1/2]

void OpenMD::StuntDouble::addFlucQFrc ( RealType cfrc )

inline

Adds charge force into the current charge force of this stuntDouble.

Parameters

cfrc	charge force to be added

Definition at line 1170 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addFlucQFrc() [2/2]

void OpenMD::StuntDouble::addFlucQFrc	(	RealType	cfrc,
		int	snapshotNo )

inline

Adds charge force into the charge force of this stuntDouble in specified snapshot.

Parameters

cfrc	charge force to be added
snapshotNo

See also: getFlucQFrc

Definition at line 1182 of file StuntDouble.hpp.

◆ addFlucQPos() [1/2]

void OpenMD::StuntDouble::addFlucQPos ( RealType charge )

inline

Adds fluctuating charge into the current fluctuating charge of this stuntDouble.

Parameters

charge new fluctuating charge

Definition at line 991 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addFlucQPos() [2/2]

void OpenMD::StuntDouble::addFlucQPos	(	RealType	charge,
		int	snapshotNo )

inline

Adds fluctuating charge into the fluctuating charge of this stuntDouble in specified snapshot.

Parameters

charge	fluctuating charge to be add
snapshotNo

See also: getFlucQPos

Definition at line 1003 of file StuntDouble.hpp.

◆ addFlucQVel() [1/2]

void OpenMD::StuntDouble::addFlucQVel ( RealType cvel )

inline

Adds charge velocity into the current charge velocity of this stuntDouble.

Parameters

cvel	new charge velocity

Definition at line 1081 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addFlucQVel() [2/2]

void OpenMD::StuntDouble::addFlucQVel	(	RealType	cvel,
		int	snapshotNo )

inline

Adds charge velocity into the charge velocity of this stuntDouble in specified snapshot.

Parameters

cvel	charge velocity to be add
snapshotNo

See also: getFlucQVel

Definition at line 1093 of file StuntDouble.hpp.

◆ addFrc() [1/2]

void OpenMD::StuntDouble::addFrc ( const Vector3d & frc )

inline

Adds force into the current force of this stuntDouble.

Parameters

frc new force

Definition at line 716 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::addFrc(), OpenMD::ConstraintElem::addFrc(), and OpenMD::GhostBend::calcForce().

◆ addFrc() [2/2]

void OpenMD::StuntDouble::addFrc	(	const Vector3d &	frc,
		int	snapshotNo )

inline

Adds force into the force of this stuntDouble in specified snapshot.

Parameters

frc	force to be set
snapshotNo

See also: getFrc

Definition at line 728 of file StuntDouble.hpp.

◆ addParticlePot() [1/2]

void OpenMD::StuntDouble::addParticlePot ( const RealType & particlePot )

inline

Adds particlePot into the current particlePot of this stuntDouble.

Parameters

particlePot new particlePot

Definition at line 899 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::GhostBend::calcForce().

◆ addParticlePot() [2/2]

void OpenMD::StuntDouble::addParticlePot	(	const RealType &	particlePot,
		int	snapshotNo )

inline

Adds particlePot into the particlePot of this stuntDouble in specified snapshot.

Parameters

particlePot	particlePot to be add
snapshotNo

See also: getParticlePot

Definition at line 912 of file StuntDouble.hpp.

◆ addPrevDensity()

void OpenMD::StuntDouble::addPrevDensity ( RealType dens )

inline

Adds density into the previous charge force of this stuntDouble.

Parameters

dens	density to be added

See also: getDensity

Definition at line 1431 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevElectricField()

void OpenMD::StuntDouble::addPrevElectricField ( const Vector3d & eField )

inline

Adds electric field into the previous electric field of this stuntDouble.

Parameters

eField new electric field

See also: getElectricField

Definition at line 1252 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevFlucQFrc()

void OpenMD::StuntDouble::addPrevFlucQFrc ( RealType cfrc )

inline

Adds charge force into the previous charge force of this stuntDouble.

Parameters

cfrc	charge force to be added

See also: getFlucQFrc

Definition at line 1161 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevFlucQPos()

void OpenMD::StuntDouble::addPrevFlucQPos ( RealType charge )

inline

Adds fluctuating charge into the previous fluctuating charge of this stuntDouble.

Parameters

charge new fluctuating charge

See also: getFlucQPos

Definition at line 981 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevFlucQVel()

void OpenMD::StuntDouble::addPrevFlucQVel ( RealType cvel )

inline

Adds charge velocity into the previous charge velocity of this stuntDouble.

Parameters

cvel	new charge velocity

See also: getFlucQVel

Definition at line 1072 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevFrc()

void OpenMD::StuntDouble::addPrevFrc ( const Vector3d & frc )

inline

Adds force into the previous force of this stuntDouble.

Parameters

frc new force

See also: getFrc

Definition at line 708 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::addPrevFrc().

◆ addPrevParticlePot()

void OpenMD::StuntDouble::addPrevParticlePot ( const RealType & particlePot )

inline

Adds particlePot into the previous particlePot of this stuntDouble.

Parameters

particlePot new particlePot

See also: getParticlePot

Definition at line 890 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevSitePotential()

void OpenMD::StuntDouble::addPrevSitePotential ( RealType spot )

inline

Adds site potential into the previous charge force of this stuntDouble.

Parameters

spot	site potential to be added

See also: getSitePotential

Definition at line 1342 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ addPrevTrq()

void OpenMD::StuntDouble::addPrevTrq ( const Vector3d & trq )

inline

Adds torque into the previous torque of this stuntDouble.

Parameters

trq	new torque

See also: getTrq

Definition at line 798 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::addPrevTrq().

◆ addProperty()

void OpenMD::StuntDouble::addProperty ( std::shared_ptr< GenericData > genData )

Adds property into property map.

Parameters

genData GenericData to be added into PropertyMap

Definition at line 134 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::addProperty().

◆ addSitePotential() [1/2]

void OpenMD::StuntDouble::addSitePotential ( RealType spot )

inline

Adds site potential into the current charge force of this stuntDouble.

Parameters

spot	site potential to be added

Definition at line 1351 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ addSitePotential() [2/2]

void OpenMD::StuntDouble::addSitePotential	(	RealType	spot,
		int	snapshotNo )

inline

Adds site potential into the site potential of this stuntDouble in specified snapshot.

Parameters

spot	site potential to be added
snapshotNo

See also: getSitePotential

Definition at line 1363 of file StuntDouble.hpp.

◆ addTrq() [1/2]

void OpenMD::StuntDouble::addTrq ( const Vector3d & trq )

inline

Adds torque into the current torque of this stuntDouble.

Parameters

trq	new torque

Definition at line 806 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::addTrq(), OpenMD::ConstraintElem::addTrq(), and OpenMD::GhostBend::calcForce().

◆ addTrq() [2/2]

void OpenMD::StuntDouble::addTrq	(	const Vector3d &	trq,
		int	snapshotNo )

inline

Adds torque into the torque of this stuntDouble in specified snapshot.

Parameters

trq	torque to be add
snapshotNo

See also: getTrq

Definition at line 818 of file StuntDouble.hpp.

◆ body2Lab() [1/2]

Vector3d OpenMD::StuntDouble::body2Lab ( const Vector3d & v )

inline

Converts a body fixed vector to a lab fixed vector.

Returns: corresponding lab fixed vector

Parameters

v	body fixed vector

Definition at line 1534 of file StuntDouble.hpp.

References getA().

Referenced by OpenMD::ConstraintElem::body2Lab().

◆ body2Lab() [2/2]

Vector3d OpenMD::StuntDouble::body2Lab	(	const Vector3d &	v,
		int	frame )

inline

Definition at line 1536 of file StuntDouble.hpp.

◆ combineForcesAndTorques()

void OpenMD::StuntDouble::combineForcesAndTorques	(	Snapshot *	snapA,
		Snapshot *	snapB,
		RealType	multA,
		RealType	multB )

Linearly combines the properties from two different snapshots.

Parameters

snapA	The properties from this snapshot are multiplied by `multA`
snapB	The properties from this snapshot are multiplied by `multB`
multA	Multiplier for the properties in `snapA`
multB	Multiplier for the properties in `snapB`

Definition at line 75 of file StuntDouble.cpp.

◆ freeze()

int OpenMD::StuntDouble::freeze ( )

inline

Freezes out all velocity, angular velocity, forces and torques on this StuntDouble.

Also computes the number of frozen degrees of freedom.

Returns: the total number of frozen degrees of freedom

Definition at line 167 of file StuntDouble.hpp.

References isDirectional(), isLinear(), setFrc(), setJ(), setTrq(), and setVel().

◆ getA() [1/2]

RotMat3x3d OpenMD::StuntDouble::getA ( )

inline

Returns the current rotation matrix of this stuntDouble.

Returns: the rotation matrix of this stuntDouble

Definition at line 317 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by body2Lab(), OpenMD::GhostBend::calcForce(), OpenMD::ConstraintElem::getA(), OpenMD::ConstraintElem::getA(), OpenMD::Thermo::getInertiaTensor(), and lab2Body().

◆ getA() [2/2]

RotMat3x3d OpenMD::StuntDouble::getA ( int snapshotNo )

inline

Returns the rotation matrix of this stuntDouble in specified snapshot.

Returns: the rotation matrix of this stuntDouble

Parameters

snapshotNo

Definition at line 328 of file StuntDouble.hpp.

◆ getCOM() [1/2]

Vector3d OpenMD::StuntDouble::getCOM ( )

inline

Returns system Center of Mass for stuntDouble frame from snapshot.

Definition at line 425 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getCOM() [2/2]

Vector3d OpenMD::StuntDouble::getCOM ( int snapshotNo )

inline

Returns system Center of Mass for stuntDouble frame from snapshot.

Definition at line 446 of file StuntDouble.hpp.

◆ getCOMvel() [1/2]

Vector3d OpenMD::StuntDouble::getCOMvel ( )

inline

Returns system Center of Mass velocity for stuntDouble frame from snapshot.

Definition at line 431 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getCOMvel() [2/2]

Vector3d OpenMD::StuntDouble::getCOMvel ( int snapshotNo )

inline

Returns system Center of Mass velocity for stuntDouble frame from snapshot.

Definition at line 454 of file StuntDouble.hpp.

◆ getCOMw() [1/2]

Vector3d OpenMD::StuntDouble::getCOMw ( )

inline

Returns system Center of Mass angular momentum for stuntDouble frame from snapshot.

Definition at line 439 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getCOMw() [2/2]

Vector3d OpenMD::StuntDouble::getCOMw ( int snapshotNo )

inline

Returns system Center of Mass angular momentum for stuntDouble frame from snapshot.

Definition at line 462 of file StuntDouble.hpp.

◆ getDensity() [1/2]

RealType OpenMD::StuntDouble::getDensity ( )

inline

Returns the current density of this stuntDouble.

Returns: the density of this stuntDouble

Definition at line 1381 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getDensity() [2/2]

RealType OpenMD::StuntDouble::getDensity ( int snapshotNo )

inline

Returns the density of this stuntDouble in specified snapshot.

Returns: the density of this stuntDouble

Parameters

snapshotNo

Definition at line 1391 of file StuntDouble.hpp.

◆ getDipole() [1/2]

Vector3d OpenMD::StuntDouble::getDipole ( )

inline

Returns the current dipole vector of this stuntDouble.

Returns: the dipole vector of this stuntDouble

Definition at line 598 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getDipole(), OpenMD::ConstraintElem::getDipole(), OpenMD::Thermo::getSystemDipole(), and OpenMD::Thermo::getSystemQuadrupole().

◆ getDipole() [2/2]

Vector3d OpenMD::StuntDouble::getDipole ( int snapshotNo )

inline

Returns the dipole vector of this stuntDouble in specified snapshot.

Returns: the dipole vector of this stuntDouble

Parameters

snapshotNo

Definition at line 609 of file StuntDouble.hpp.

◆ getElectricField() [1/2]

Vector3d OpenMD::StuntDouble::getElectricField ( )

inline

Returns the current electric field of this stuntDouble.

Returns: the electric field of this stuntDouble

Definition at line 1200 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getElectricField() [2/2]

Vector3d OpenMD::StuntDouble::getElectricField ( int snapshotNo )

inline

Returns the electric field of this stuntDouble in specified snapshot.

Returns: the electric field of this stuntDouble

Parameters

snapshotNo

Definition at line 1210 of file StuntDouble.hpp.

◆ getEuler() [1/2]

Vector3d OpenMD::StuntDouble::getEuler ( )

inline

Returns the current euler angles of this stuntDouble.

Returns: the euler angles of this stuntDouble

Definition at line 534 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getEuler(), and OpenMD::ConstraintElem::getEuler().

◆ getEuler() [2/2]

Vector3d OpenMD::StuntDouble::getEuler ( int snapshotNo )

inline

Returns the euler angles of this stuntDouble in specified snapshot.

Returns: the euler angles of this stuntDouble

Parameters

snapshotNo

Definition at line 545 of file StuntDouble.hpp.

◆ getFlucQFrc() [1/2]

RealType OpenMD::StuntDouble::getFlucQFrc ( )

inline

Returns the current charge force of this stuntDouble.

Returns: the charge force of this stuntDouble

Definition at line 1111 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getFlucQFrc() [2/2]

RealType OpenMD::StuntDouble::getFlucQFrc ( int snapshotNo )

inline

Returns the charge force of this stuntDouble in specified snapshot.

Returns: the charge force of this stuntDouble

Parameters

snapshotNo

Definition at line 1121 of file StuntDouble.hpp.

◆ getFlucQPos() [1/2]

RealType OpenMD::StuntDouble::getFlucQPos ( )

inline

Returns the current fluctuating charge of this stuntDouble.

Returns: the fluctuating charge of this stuntDouble

Definition at line 930 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::Thermo::getSystemDipole(), OpenMD::Thermo::getSystemQuadrupole(), and OpenMD::PotDiff::process().

◆ getFlucQPos() [2/2]

RealType OpenMD::StuntDouble::getFlucQPos ( int snapshotNo )

inline

Returns the fluctuating charge of this stuntDouble in specified snapshot.

Returns: the fluctuating charge of this stuntDouble

Parameters

snapshotNo

Definition at line 940 of file StuntDouble.hpp.

◆ getFlucQVel() [1/2]

RealType OpenMD::StuntDouble::getFlucQVel ( )

inline

Returns the current charge velocity of this stuntDouble.

Returns: the charge velocity of this stuntDouble

Definition at line 1021 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getFlucQVel() [2/2]

RealType OpenMD::StuntDouble::getFlucQVel ( int snapshotNo )

inline

Returns the charge velocity of this stuntDouble in specified snapshot.

Returns: the charge velocity of this stuntDouble

Parameters

snapshotNo

Definition at line 1031 of file StuntDouble.hpp.

◆ getFrc() [1/2]

Vector3d OpenMD::StuntDouble::getFrc ( )

inline

Returns the current force of this stuntDouble.

Returns: the force of this stuntDouble

Definition at line 655 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getFrc(), OpenMD::ConstraintElem::getFrc(), and OpenMD::Atom::getGrad().

◆ getFrc() [2/2]

Vector3d OpenMD::StuntDouble::getFrc ( int snapshotNo )

inline

Returns the force of this stuntDouble in specified snapshot.

Returns: the force of this stuntDouble

Parameters

snapshotNo

Definition at line 666 of file StuntDouble.hpp.

◆ getGlobalIndex()

int OpenMD::StuntDouble::getGlobalIndex ( )

inline

Returns the global index of this stuntDouble.

Returns: the global index of this stuntDouble

Definition at line 101 of file StuntDouble.hpp.

Referenced by OpenMD::SimInfo::addInteractionPairs(), OpenMD::RigidBody::getAtomPos(), OpenMD::RigidBody::getAtomRefCoor(), OpenMD::RigidBody::getAtomVel(), OpenMD::SimInfo::getGlobalAtomIndices(), OpenMD::ConstraintElem::getGlobalIndex(), OpenMD::SimInfo::removeInteractionPairs(), and OpenMD::ZConsVisitor::ZConsVisitor().

◆ getGlobalIntegrableObjectIndex()

int OpenMD::StuntDouble::getGlobalIntegrableObjectIndex ( )

inline

Definition at line 121 of file StuntDouble.hpp.

◆ getGrad()

virtual std::vector< RealType > OpenMD::StuntDouble::getGrad ( )

pure virtual

Returns the gradient of this stuntDouble.

Returns: the gradient of this stuntDouble

Implemented in OpenMD::Atom, OpenMD::Atom, OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Referenced by OpenMD::ConstraintElem::getGrad().

◆ getI()

virtual Mat3x3d OpenMD::StuntDouble::getI ( )

pure virtual

Returns the inertia tensor of this stuntDouble.

Returns: the inertia tensor of this stuntDouble

Implemented in OpenMD::Atom, OpenMD::Atom, OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Referenced by OpenMD::ConstraintElem::getI(), OpenMD::Thermo::getInertiaTensor(), and OpenMD::Velocitizer::randomize().

◆ getJ() [1/2]

Vector3d OpenMD::StuntDouble::getJ ( )

inline

Returns the current angular momentum of this stuntDouble (body -fixed).

Returns: the angular momentum of this stuntDouble

Definition at line 374 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::Thermo::getInertiaTensor(), OpenMD::ConstraintElem::getJ(), OpenMD::ConstraintElem::getJ(), and OpenMD::Velocitizer::scale().

◆ getJ() [2/2]

Vector3d OpenMD::StuntDouble::getJ ( int snapshotNo )

inline

Returns the angular momentum of this stuntDouble in specified snapshot (body-fixed).

Returns: the angular momentum of this stuntDouble

Parameters

snapshotNo

Definition at line 385 of file StuntDouble.hpp.

◆ getLocalIndex()

int OpenMD::StuntDouble::getLocalIndex ( )

inline

Returns the local index of this stuntDouble.

Returns: the local index of this stuntDouble

Definition at line 113 of file StuntDouble.hpp.

Referenced by OpenMD::SimInfo::getGlobalAtomIndices(), OpenMD::ConstraintElem::getLocalIndex(), and OpenMD::SimInfo::prepareTopology().

◆ getMass()

RealType OpenMD::StuntDouble::getMass ( )

inline

Returns the mass of this stuntDouble.

Definition at line 1506 of file StuntDouble.hpp.

Referenced by OpenMD::Molecule::getCom(), OpenMD::Molecule::getCom(), OpenMD::Molecule::getComVel(), OpenMD::Thermo::getInertiaTensor(), OpenMD::ConstraintElem::getMass(), OpenMD::Molecule::getMass(), OpenMD::Thermo::getPressureTensor(), OpenMD::Thermo::getPressureTensor(), OpenMD::Molecule::getPrevCom(), OpenMD::SimInfo::prepareTopology(), and OpenMD::Velocitizer::randomize().

◆ getParticlePot() [1/2]

RealType OpenMD::StuntDouble::getParticlePot ( )

inline

Returns the current particlePot of this stuntDouble.

Returns: the particlePot of this stuntDouble

Definition at line 836 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getParticlePot() [2/2]

RealType OpenMD::StuntDouble::getParticlePot ( int snapshotNo )

inline

Returns the particlePot of this stuntDouble in specified snapshot.

Returns: the particlePot of this stuntDouble

Parameters

snapshotNo

Definition at line 847 of file StuntDouble.hpp.

◆ getPos() [1/2]

Vector3d OpenMD::StuntDouble::getPos ( )

inline

Returns the current position of this stuntDouble.

Returns: the position of this stuntDouble

Definition at line 196 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::GhostBend::calcForce(), OpenMD::Thermo::getBoundingBox(), OpenMD::Molecule::getCom(), OpenMD::Molecule::getCom(), OpenMD::Thermo::getInertiaTensor(), OpenMD::ConstraintElem::getPos(), OpenMD::ConstraintElem::getPos(), OpenMD::Thermo::getSystemDipole(), OpenMD::Thermo::getSystemQuadrupole(), OpenMD::Molecule::moveCom(), and OpenMD::Velocitizer::removeAngularDrift().

◆ getPos() [2/2]

Vector3d OpenMD::StuntDouble::getPos ( int snapshotNo )

inline

Returns the position of this stuntDouble in specified snapshot.

Returns: the position of this stuntDouble

Parameters

snapshotNo

Definition at line 206 of file StuntDouble.hpp.

◆ getPrevA()

RotMat3x3d OpenMD::StuntDouble::getPrevA ( )

inline

Returns the previous rotation matrix of this stuntDouble.

Returns: the rotation matrix of this stuntDouble

Definition at line 309 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevA().

◆ getPrevDensity()

RealType OpenMD::StuntDouble::getPrevDensity ( )

inline

Returns the previous density of this stuntDouble.

Returns: the density of this stuntDouble

Definition at line 1372 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevDipole()

Vector3d OpenMD::StuntDouble::getPrevDipole ( )

inline

Returns the previous dipole vector of this stuntDouble.

Returns: the dipole vector of this stuntDouble

Definition at line 590 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevDipole().

◆ getPrevElectricField()

Vector3d OpenMD::StuntDouble::getPrevElectricField ( )

inline

Returns the previous electric field of this stuntDouble.

Returns: the electric field of this stuntDouble

Definition at line 1191 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevEuler()

Vector3d OpenMD::StuntDouble::getPrevEuler ( )

inline

Returns the previous euler angles of this stuntDouble.

Returns: the euler angles of this stuntDouble

Definition at line 524 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevEuler().

◆ getPrevFlucQFrc()

RealType OpenMD::StuntDouble::getPrevFlucQFrc ( )

inline

Returns the previous charge force of this stuntDouble.

Returns: the charge force of this stuntDouble

Definition at line 1102 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevFlucQPos()

RealType OpenMD::StuntDouble::getPrevFlucQPos ( )

inline

Returns the previous fluctuating charge of this stuntDouble.

Returns: the fluctuating charge of this stuntDouble

Definition at line 921 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevFlucQVel()

RealType OpenMD::StuntDouble::getPrevFlucQVel ( )

inline

Returns the previous charge velocity of this stuntDouble.

Returns: the charge velocity of this stuntDouble

Definition at line 1012 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevFrc()

Vector3d OpenMD::StuntDouble::getPrevFrc ( )

inline

Returns the previous force of this stuntDouble.

Returns: the force of this stuntDouble

Definition at line 647 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevFrc().

◆ getPrevJ()

Vector3d OpenMD::StuntDouble::getPrevJ ( )

inline

Returns the previous angular momentum of this stuntDouble (body-fixed).

Returns: the angular momentum of this stuntDouble

Definition at line 365 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevJ().

◆ getPrevParticlePot()

RealType OpenMD::StuntDouble::getPrevParticlePot ( )

inline

Returns the previous particlePot of this stuntDouble.

Returns: the particlePot of this stuntDouble

Definition at line 827 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevPos()

Vector3d OpenMD::StuntDouble::getPrevPos ( )

inline

Returns the previous position of this stuntDouble.

Returns: the position of this stuntDouble

Definition at line 187 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::Molecule::getPrevCom(), and OpenMD::ConstraintElem::getPrevPos().

◆ getPrevQ()

Quat4d OpenMD::StuntDouble::getPrevQ ( )

inline

Returns the previous quaternion of this stuntDouble.

Returns: the quaternion of this stuntDouble

Definition at line 470 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevQ().

◆ getPrevQuadrupole()

Mat3x3d OpenMD::StuntDouble::getPrevQuadrupole ( )

inline

Returns the previous quadrupole tensor of this stuntDouble.

Returns: the quadrupole tensor of this stuntDouble

Definition at line 618 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevQuadrupole().

◆ getPrevSitePotential()

RealType OpenMD::StuntDouble::getPrevSitePotential ( )

inline

Returns the previous site potential of this stuntDouble.

Returns: the site potential of this stuntDouble

Definition at line 1283 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ getPrevTrq()

Vector3d OpenMD::StuntDouble::getPrevTrq ( )

inline

Returns the previous torque of this stuntDouble.

Returns: the torque of this stuntDouble

Definition at line 737 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevTrq().

◆ getPrevVel()

Vector3d OpenMD::StuntDouble::getPrevVel ( )

inline

Returns the previous velocity of this stuntDouble.

Returns: the velocity of this stuntDouble

Definition at line 247 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::getPrevVel().

◆ getProperties()

std::vector< std::shared_ptr< GenericData > > OpenMD::StuntDouble::getProperties ( )

Returns all of the properties in PropertyMap.

Returns: all of the properties in PropertyMap

Definition at line 146 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::getProperties().

◆ getPropertyByName()

std::shared_ptr< GenericData > OpenMD::StuntDouble::getPropertyByName ( const std::string & propName )

Returns property.

Parameters

propName name of property

Returns: a pointer point to property with propName. If no property named propName exists, return NULL

Definition at line 150 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::getPropertyByName().

◆ getPropertyNames()

std::vector< std::string > OpenMD::StuntDouble::getPropertyNames ( )

Returns all names of properties.

Returns: all names of properties

Definition at line 142 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::getPropertyNames().

◆ getQ() [1/2]

Quat4d OpenMD::StuntDouble::getQ ( )

inline

Returns the current quaternion of this stuntDouble.

Returns: the quaternion of this stuntDouble

Definition at line 480 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getQ(), and OpenMD::ConstraintElem::getQ().

◆ getQ() [2/2]

Quat4d OpenMD::StuntDouble::getQ ( int snapshotNo )

inline

Returns the quaternion of this stuntDouble in specified snapshot.

Returns: the quaternion of this stuntDouble

Parameters

snapshotNo

Definition at line 491 of file StuntDouble.hpp.

◆ getQuadrupole() [1/2]

Mat3x3d OpenMD::StuntDouble::getQuadrupole ( )

inline

Returns the current quadrupole tensor of this stuntDouble.

Returns: the quadrupole tensor of this stuntDouble

Definition at line 627 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getQuadrupole(), OpenMD::ConstraintElem::getQuadrupole(), and OpenMD::Thermo::getSystemQuadrupole().

◆ getQuadrupole() [2/2]

Mat3x3d OpenMD::StuntDouble::getQuadrupole ( int snapshotNo )

inline

Returns the quadrupole tensor of this stuntDouble in specified snapshot.

Returns: the quadrupole tensor of this stuntDouble

Parameters

snapshotNo

Definition at line 638 of file StuntDouble.hpp.

◆ getSitePotential() [1/2]

RealType OpenMD::StuntDouble::getSitePotential ( )

inline

Returns the current site potential of this stuntDouble.

Returns: the site potential of this stuntDouble

Definition at line 1292 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

◆ getSitePotential() [2/2]

RealType OpenMD::StuntDouble::getSitePotential ( int snapshotNo )

inline

Returns the site potential of this stuntDouble in specified snapshot.

Returns: the site potential of this stuntDouble

Parameters

snapshotNo

Definition at line 1302 of file StuntDouble.hpp.

◆ getTrq() [1/2]

Vector3d OpenMD::StuntDouble::getTrq ( )

inline

Returns the current torque of this stuntDouble.

Returns: the torque of this stuntDouble

Definition at line 745 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::getTrq(), and OpenMD::ConstraintElem::getTrq().

◆ getTrq() [2/2]

Vector3d OpenMD::StuntDouble::getTrq ( int snapshotNo )

inline

Returns the torque of this stuntDouble in specified snapshot.

Returns: the torque of this stuntDouble

Parameters

snapshotNo

Definition at line 756 of file StuntDouble.hpp.

◆ getType()

virtual std::string OpenMD::StuntDouble::getType ( )

pure virtual

Returns the name of this stuntDouble.

Implemented in OpenMD::Atom, OpenMD::Atom, and OpenMD::RigidBody.

Referenced by OpenMD::ConstraintElem::getType().

◆ getVel() [1/3]

Vector3d OpenMD::StuntDouble::getVel ( )

inline

Returns the current velocity of this stuntDouble.

Returns: the velocity of this stuntDouble

Definition at line 256 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::Molecule::getComVel(), OpenMD::Thermo::getInertiaTensor(), OpenMD::Thermo::getPressureTensor(), OpenMD::Thermo::getPressureTensor(), OpenMD::ConstraintElem::getVel(), OpenMD::ConstraintElem::getVel(), OpenMD::Velocitizer::removeAngularDrift(), OpenMD::Velocitizer::removeComDrift(), and OpenMD::Velocitizer::scale().

◆ getVel() [2/3]

Vector3d OpenMD::StuntDouble::getVel ( int snapshotNo )

inline

Returns the velocity of this stuntDouble in specified snapshot.

Returns: the velocity of this stuntDouble

Parameters

snapshotNo

Definition at line 266 of file StuntDouble.hpp.

◆ getVel() [3/3]

Vector3d OpenMD::StuntDouble::getVel ( Snapshot * snapshot )

inline

Definition at line 271 of file StuntDouble.hpp.

◆ isAtom()

bool OpenMD::StuntDouble::isAtom ( )

inline

Tests if this stuntDouble is an atom.

Returns: true is this stuntDouble is an atom(or a directional atom), return false otherwise

Definition at line 139 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::isAtom(), OpenMD::DumpReader::parseSiteLine(), and OpenMD::Velocitizer::randomizeChargeVelocity().

◆ isDirectional()

bool OpenMD::StuntDouble::isDirectional ( )

inline

Tests if this stuntDouble is a directional one.

Returns: true is this stuntDouble is a directional atom or a rigid body, return false otherwise

Definition at line 159 of file StuntDouble.hpp.

References isDirectionalAtom(), and isRigidBody().

Referenced by freeze(), OpenMD::Thermo::getInertiaTensor(), OpenMD::ConstraintElem::isDirectional(), OpenMD::ConstraintElem::isDirectionalAtom(), OpenMD::Velocitizer::randomize(), and OpenMD::Velocitizer::scale().

◆ isDirectionalAtom()

bool OpenMD::StuntDouble::isDirectionalAtom ( )

inline

Tests if this stuntDouble is an directional atom.

Returns: true if this stuntDouble is an directional atom, return false otherwise

Definition at line 146 of file StuntDouble.hpp.

Referenced by isDirectional().

◆ isLinear()

bool OpenMD::StuntDouble::isLinear ( )

inline

Tests the if this stuntDouble is a linear rigidbody.

Returns: true if this stuntDouble is a linear rigidbody, otherwise return false

Note: atom and directional atom will always return false

See also: linearAxis

Definition at line 1493 of file StuntDouble.hpp.

Referenced by freeze(), OpenMD::ConstraintElem::isLinear(), and OpenMD::Velocitizer::randomize().

◆ isRigidBody()

bool OpenMD::StuntDouble::isRigidBody ( )

inline

Tests if this stuntDouble is a rigid body.

Returns: true if this stuntDouble is a rigid body, otherwise return false

Definition at line 152 of file StuntDouble.hpp.

Referenced by OpenMD::SimInfo::addInteractionPairs(), isDirectional(), OpenMD::ConstraintElem::isRigidBody(), OpenMD::DumpReader::parseSiteLine(), OpenMD::Velocitizer::randomizeChargeVelocity(), and OpenMD::SimInfo::removeInteractionPairs().

◆ lab2Body() [1/2]

Vector3d OpenMD::StuntDouble::lab2Body ( const Vector3d & v )

inline

Converts a lab fixed vector to a body fixed vector.

Returns: body fixed vector

Parameters

v	lab fixed vector

Definition at line 1525 of file StuntDouble.hpp.

References getA().

Referenced by OpenMD::ConstraintElem::lab2Body().

◆ lab2Body() [2/2]

Vector3d OpenMD::StuntDouble::lab2Body	(	const Vector3d &	v,
		int	frame )

inline

Definition at line 1527 of file StuntDouble.hpp.

◆ linearAxis()

int OpenMD::StuntDouble::linearAxis ( )

inline

Returns the linear axis of the rigidbody, atom and directional atom will always return -1.

Returns: the linear axis of the rigidbody

See also: isLinear

Definition at line 1503 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::linearAxis(), and OpenMD::Velocitizer::randomize().

◆ removeProperty()

void OpenMD::StuntDouble::removeProperty ( const std::string & propName )

Removes property from PropertyMap by name.

Parameters

propName the name of property to be removed

Definition at line 138 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::removeProperty().

◆ setA() [1/2]

virtual void OpenMD::StuntDouble::setA ( const RotMat3x3d & a )

inlinevirtual

Sets the current rotation matrix of this stuntDouble.

Parameters

a	new rotation matrix

Reimplemented in OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Definition at line 346 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::setA(), OpenMD::ConstraintElem::setA(), setQ(), and setQ().

◆ setA() [2/2]

virtual void OpenMD::StuntDouble::setA	(	const RotMat3x3d &	a,
		int	snapshotNo )

inlinevirtual

Sets the rotation matrix of this stuntDouble in specified snapshot.

Parameters

a	rotation matrix to be set
snapshotNo

See also: getA

Reimplemented in OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Definition at line 356 of file StuntDouble.hpp.

◆ setDensity() [1/2]

void OpenMD::StuntDouble::setDensity ( RealType dens )

inline

Sets the current density of this stuntDouble.

Parameters

dens	new density

Definition at line 1410 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine().

◆ setDensity() [2/2]

void OpenMD::StuntDouble::setDensity	(	RealType	dens,
		int	snapshotNo )

inline

Sets the density of this stuntDouble in specified snapshot.

Parameters

dens	density to be set
snapshotNo

See also: getDensity

Definition at line 1421 of file StuntDouble.hpp.

◆ setElectricField() [1/2]

void OpenMD::StuntDouble::setElectricField ( const Vector3d & eField )

inline

Sets the current electric field of this stuntDouble.

Parameters

eField new electric field

Definition at line 1229 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine().

◆ setElectricField() [2/2]

void OpenMD::StuntDouble::setElectricField	(	const Vector3d &	eField,
		int	snapshotNo )

inline

Sets the electric field of this stuntDouble in specified snapshot.

Parameters

eField	electric field to be set
snapshotNo

See also: getElectricField

Definition at line 1240 of file StuntDouble.hpp.

◆ setEuler() [1/2]

void OpenMD::StuntDouble::setEuler ( const Vector3d & euler )

inline

Sets the current euler angles of this stuntDouble.

Parameters

euler new euler angles

Definition at line 567 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::ConstraintElem::setEuler(), and OpenMD::ConstraintElem::setEuler().

◆ setEuler() [2/2]

void OpenMD::StuntDouble::setEuler	(	const Vector3d &	euler,
		int	snapshotNo )

inline

Sets the euler angles of this stuntDouble in specified snapshot.

Parameters

euler	euler angles to be set
snapshotNo

Note: actual storage data is rotation matrix

Definition at line 580 of file StuntDouble.hpp.

◆ setFlucQFrc() [1/2]

void OpenMD::StuntDouble::setFlucQFrc ( RealType cfrc )

inline

Sets the current charge force of this stuntDouble.

Parameters

cfrc	new charge force

Definition at line 1140 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine().

◆ setFlucQFrc() [2/2]

void OpenMD::StuntDouble::setFlucQFrc	(	RealType	cfrc,
		int	snapshotNo )

inline

Sets the charge force of this stuntDouble in specified snapshot.

Parameters

cfrc	charge force to be set
snapshotNo

See also: getFlucQFrc

Definition at line 1151 of file StuntDouble.hpp.

◆ setFlucQPos() [1/2]

void OpenMD::StuntDouble::setFlucQPos ( RealType charge )

inline

Sets the current fluctuating charge of this stuntDouble.

Parameters

charge new fluctuating charge

Definition at line 959 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine(), OpenMD::PotDiff::PotDiff(), and OpenMD::PotDiff::process().

◆ setFlucQPos() [2/2]

void OpenMD::StuntDouble::setFlucQPos	(	RealType	charge,
		int	snapshotNo )

inline

Sets the fluctuating charge of this stuntDouble in specified snapshot.

Parameters

charge	fluctuating charge to be set
snapshotNo

See also: getFlucQPos

Definition at line 970 of file StuntDouble.hpp.

◆ setFlucQVel() [1/2]

void OpenMD::StuntDouble::setFlucQVel ( RealType cvel )

inline

Sets the current charge velocity of this stuntDouble.

Parameters

cvel	new charge velocity

Definition at line 1050 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine(), and OpenMD::Velocitizer::randomizeChargeVelocity().

◆ setFlucQVel() [2/2]

void OpenMD::StuntDouble::setFlucQVel	(	RealType	cvel,
		int	snapshotNo )

inline

Sets the charge velocity of this stuntDouble in specified snapshot.

Parameters

cvel	charge velocity to be set
snapshotNo

See also: getFlucQVel

Definition at line 1061 of file StuntDouble.hpp.

◆ setFrc() [1/2]

void OpenMD::StuntDouble::setFrc ( const Vector3d & frc )

inline

Sets the current force of this stuntDouble.

Parameters

frc new force

Definition at line 685 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by freeze(), OpenMD::ConstraintElem::setFrc(), and OpenMD::ConstraintElem::setFrc().

◆ setFrc() [2/2]

void OpenMD::StuntDouble::setFrc	(	const Vector3d &	frc,
		int	snapshotNo )

inline

Sets the force of this stuntDouble in specified snapshot.

Parameters

frc	force to be set
snapshotNo

See also: getFrc

Definition at line 697 of file StuntDouble.hpp.

◆ setGlobalIndex()

void OpenMD::StuntDouble::setGlobalIndex ( int index )

inline

Sets the global index of this stuntDouble.

Parameters

index new global index to be set

Definition at line 107 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::setGlobalIndex().

◆ setGlobalIntegrableObjectIndex()

void OpenMD::StuntDouble::setGlobalIntegrableObjectIndex ( int index )

inline

Definition at line 125 of file StuntDouble.hpp.

◆ setJ() [1/2]

void OpenMD::StuntDouble::setJ ( const Vector3d & angMom )

inline

Sets the current angular momentum of this stuntDouble (body-fixed).

Parameters

angMom new angular momentum

Definition at line 404 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by freeze(), OpenMD::Velocitizer::randomize(), OpenMD::Velocitizer::scale(), OpenMD::ConstraintElem::setJ(), and OpenMD::ConstraintElem::setJ().

◆ setJ() [2/2]

void OpenMD::StuntDouble::setJ	(	const Vector3d &	angMom,
		int	snapshotNo )

inline

Sets the angular momentum of this stuntDouble in specified snapshot(body-fixed).

Parameters

angMom	angular momentum to be set
snapshotNo

See also: getJ

Definition at line 416 of file StuntDouble.hpp.

◆ setLocalIndex()

void OpenMD::StuntDouble::setLocalIndex ( int index )

inline

Sets the local index of this stuntDouble.

Parameters

index new index to be set

Definition at line 119 of file StuntDouble.hpp.

Referenced by OpenMD::MoleculeCreator::createAtom(), and OpenMD::ConstraintElem::setLocalIndex().

◆ setMass()

void OpenMD::StuntDouble::setMass ( RealType mass )

inline

Sets the mass of this stuntdoulbe.

Parameters

mass	the mass to be set

Definition at line 1512 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::setMass().

◆ setParticlePot() [1/2]

void OpenMD::StuntDouble::setParticlePot ( const RealType & particlePot )

inline

Sets the current particlePot of this stuntDouble.

Parameters

particlePot new particlePot

Definition at line 867 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine().

◆ setParticlePot() [2/2]

void OpenMD::StuntDouble::setParticlePot	(	const RealType &	particlePot,
		int	snapshotNo )

inline

Sets the particlePot of this stuntDouble in specified snapshot.

Parameters

particlePot	particlePot to be set
snapshotNo

See also: getParticlePot

Definition at line 879 of file StuntDouble.hpp.

◆ setPos() [1/2]

void OpenMD::StuntDouble::setPos ( const Vector3d & pos )

inline

Sets the current position of this stuntDouble.

Parameters

pos	new position

Definition at line 225 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::Molecule::moveCom(), OpenMD::ConstraintElem::setPos(), and OpenMD::ConstraintElem::setPos().

◆ setPos() [2/2]

void OpenMD::StuntDouble::setPos	(	const Vector3d &	pos,
		int	snapshotNo )

inline

Sets the position of this stuntDouble in specified snapshot.

Parameters

pos	position to be set
snapshotNo

See also: getPos

Definition at line 238 of file StuntDouble.hpp.

◆ setPrevA()

virtual void OpenMD::StuntDouble::setPrevA ( const RotMat3x3d & a )

inlinevirtual

Sets the previous rotation matrix of this stuntDouble.

Parameters

a	new rotation matrix

See also: getA

Reimplemented in OpenMD::DirectionalAtom, and OpenMD::RigidBody.

Definition at line 338 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevA(), and setPrevQ().

◆ setPrevDensity()

void OpenMD::StuntDouble::setPrevDensity ( RealType dens )

inline

Sets the previous density of this stuntDouble.

Parameters

dens	new density

See also: getDensity

Definition at line 1401 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevElectricField()

void OpenMD::StuntDouble::setPrevElectricField ( const Vector3d & eField )

inline

Sets the previous electric field of this stuntDouble.

Parameters

eField new electric field

See also: getElectricField

Definition at line 1220 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevEuler()

void OpenMD::StuntDouble::setPrevEuler ( const Vector3d & euler )

inline

Sets the previous euler angles of this stuntDouble.

Parameters

euler new euler angles

See also: getEuler

Note: actual storage data is rotation matrix

Definition at line 557 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevEuler().

◆ setPrevFlucQFrc()

void OpenMD::StuntDouble::setPrevFlucQFrc ( RealType cfrc )

inline

Sets the previous charge force of this stuntDouble.

Parameters

cfrc	new charge force

See also: getFlucQFrc

Definition at line 1131 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevFlucQPos()

void OpenMD::StuntDouble::setPrevFlucQPos ( RealType charge )

inline

Sets the previous fluctuating charge of this stuntDouble.

Parameters

charge new fluctuating charge

See also: getFlucQPos

Definition at line 950 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevFlucQVel()

void OpenMD::StuntDouble::setPrevFlucQVel ( RealType cvel )

inline

Sets the previous charge velocity of this stuntDouble.

Parameters

cvel	new charge velocity

See also: getFlucQVel

Definition at line 1041 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevFrc()

void OpenMD::StuntDouble::setPrevFrc ( const Vector3d & frc )

inline

Sets the previous force of this stuntDouble.

Parameters

frc new force

See also: getFrc

Definition at line 677 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevFrc().

◆ setPrevJ()

void OpenMD::StuntDouble::setPrevJ ( const Vector3d & angMom )

inline

Sets the previous angular momentum of this stuntDouble (body-fixed).

Parameters

angMom new angular momentum

See also: getJ

Definition at line 395 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevJ().

◆ setPrevParticlePot()

void OpenMD::StuntDouble::setPrevParticlePot ( const RealType & particlePot )

inline

Sets the previous particlePot of this stuntDouble.

Parameters

particlePot new particlePot

See also: getParticlePot

Definition at line 858 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevPos()

void OpenMD::StuntDouble::setPrevPos ( const Vector3d & pos )

inline

Sets the previous position of this stuntDouble.

Parameters

pos	new position

See also: getPos

Definition at line 216 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevPos().

◆ setPrevQ()

void OpenMD::StuntDouble::setPrevQ ( const Quat4d & q )

inline

Sets the previous quaternion of this stuntDouble.

Parameters

q	new quaternion

Note: actual storage data is rotation matrix

Definition at line 502 of file StuntDouble.hpp.

References setPrevA().

Referenced by OpenMD::ConstraintElem::setPrevQ().

◆ setPrevSitePotential()

void OpenMD::StuntDouble::setPrevSitePotential ( RealType spot )

inline

Sets the previous site potential of this stuntDouble.

Parameters

spot	new site potential

See also: getSitePotential

Definition at line 1312 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

◆ setPrevTrq()

void OpenMD::StuntDouble::setPrevTrq ( const Vector3d & trq )

inline

Sets the previous torque of this stuntDouble.

Parameters

trq	new torque

See also: getTrq

Definition at line 767 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevTrq().

◆ setPrevVel()

void OpenMD::StuntDouble::setPrevVel ( const Vector3d & vel )

inline

Sets the previous velocity of this stuntDouble.

Parameters

vel	new velocity

See also: getVel

Definition at line 280 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getPrevSnapshot().

Referenced by OpenMD::ConstraintElem::setPrevVel().

◆ setQ() [1/2]

void OpenMD::StuntDouble::setQ ( const Quat4d & q )

inline

Sets the current quaternion of this stuntDouble.

Parameters

q	new quaternion

Note: actual storage data is rotation matrix

Definition at line 509 of file StuntDouble.hpp.

References setA().

Referenced by OpenMD::ConstraintElem::setQ(), and OpenMD::ConstraintElem::setQ().

◆ setQ() [2/2]

void OpenMD::StuntDouble::setQ	(	const Quat4d &	q,
		int	snapshotNo )

inline

Sets the quaternion of this stuntDouble in specified snapshot.

Parameters

q	quaternion to be set
snapshotNo

Note: actual storage data is rotation matrix

Definition at line 518 of file StuntDouble.hpp.

References setA().

◆ setSitePotential() [1/2]

void OpenMD::StuntDouble::setSitePotential ( RealType spot )

inline

Sets the current site potential of this stuntDouble.

Parameters

spot	new site potential

Definition at line 1321 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by OpenMD::DumpReader::parseSiteLine().

◆ setSitePotential() [2/2]

void OpenMD::StuntDouble::setSitePotential	(	RealType	spot,
		int	snapshotNo )

inline

Sets the site potential of this stuntDouble in specified snapshot.

Parameters

spot	site potential to be set
snapshotNo

See also: getSitePotential

Definition at line 1332 of file StuntDouble.hpp.

◆ setSnapshotManager()

void OpenMD::StuntDouble::setSnapshotManager ( SnapshotManager * sman )

inline

Sets the Snapshot Manager of this stuntDouble.

Definition at line 132 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::setSnapshotManager(), and OpenMD::SimInfo::setSnapshotManager().

◆ setTrq() [1/2]

void OpenMD::StuntDouble::setTrq ( const Vector3d & trq )

inline

Sets the current torque of this stuntDouble.

Parameters

trq	new torque

Definition at line 775 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by freeze(), OpenMD::ConstraintElem::setTrq(), and OpenMD::ConstraintElem::setTrq().

◆ setTrq() [2/2]

void OpenMD::StuntDouble::setTrq	(	const Vector3d &	trq,
		int	snapshotNo )

inline

Sets the torque of this stuntDouble in specified snapshot.

Parameters

trq	torque to be set
snapshotNo

See also: getTrq

Definition at line 787 of file StuntDouble.hpp.

◆ setType()

virtual void OpenMD::StuntDouble::setType ( const std::string & )

inlinevirtual

Sets the name of this stuntDouble.

Reimplemented in OpenMD::RigidBody.

Definition at line 1518 of file StuntDouble.hpp.

Referenced by OpenMD::ConstraintElem::setType().

◆ setVel() [1/2]

void OpenMD::StuntDouble::setVel ( const Vector3d & vel )

inline

Sets the current velocity of this stuntDouble.

Parameters

vel	new velocity

Definition at line 289 of file StuntDouble.hpp.

References OpenMD::SnapshotManager::getCurrentSnapshot().

Referenced by freeze(), OpenMD::Velocitizer::randomize(), OpenMD::Velocitizer::removeAngularDrift(), OpenMD::Velocitizer::removeComDrift(), OpenMD::Velocitizer::scale(), OpenMD::ConstraintElem::setVel(), and OpenMD::ConstraintElem::setVel().

◆ setVel() [2/2]

void OpenMD::StuntDouble::setVel	(	const Vector3d &	vel,
		int	snapshotNo )

inline

Sets the velocity of this stuntDouble in specified snapshot.

Parameters

vel	velocity to be set
snapshotNo

See also: getVel

Definition at line 300 of file StuntDouble.hpp.

◆ zeroForcesAndTorques()

void OpenMD::StuntDouble::zeroForcesAndTorques ( )

Set the properties of this stuntDouble to zero.

Definition at line 64 of file StuntDouble.cpp.

Referenced by OpenMD::ConstraintElem::zeroForcesAndTorques().

Member Data Documentation

◆ globalIndex_

int OpenMD::StuntDouble::globalIndex_

protected

Definition at line 1600 of file StuntDouble.hpp.

◆ globalIntegrableObjectIndex_

int OpenMD::StuntDouble::globalIntegrableObjectIndex_

protected

Definition at line 1601 of file StuntDouble.hpp.

◆ linear_

bool OpenMD::StuntDouble::linear_

protected

Definition at line 1597 of file StuntDouble.hpp.

◆ linearAxis_

int OpenMD::StuntDouble::linearAxis_

protected

Definition at line 1598 of file StuntDouble.hpp.

◆ localIndex_

int OpenMD::StuntDouble::localIndex_

protected

Definition at line 1602 of file StuntDouble.hpp.

◆ mass_

RealType OpenMD::StuntDouble::mass_

protected

Definition at line 1604 of file StuntDouble.hpp.

◆ objType_

ObjectType OpenMD::StuntDouble::objType_

protected

Definition at line 1593 of file StuntDouble.hpp.

◆ snapshotMan_

SnapshotManager* OpenMD::StuntDouble::snapshotMan_

protected

Definition at line 1595 of file StuntDouble.hpp.

◆ storage_

DataStoragePointer OpenMD::StuntDouble::storage_

protected

Definition at line 1594 of file StuntDouble.hpp.

The documentation for this class was generated from the following files:

primitives/StuntDouble.hpp
primitives/StuntDouble.cpp

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Member Enumeration Documentation

◆ ObjectType

Constructor & Destructor Documentation

◆ StuntDouble()

Member Function Documentation

◆ accept()

◆ addDensity() [1/2]

◆ addDensity() [2/2]

◆ addElectricField() [1/2]

◆ addElectricField() [2/2]

◆ addFlucQFrc() [1/2]

◆ addFlucQFrc() [2/2]

◆ addFlucQPos() [1/2]

◆ addFlucQPos() [2/2]

◆ addFlucQVel() [1/2]

◆ addFlucQVel() [2/2]

◆ addFrc() [1/2]

◆ addFrc() [2/2]

◆ addParticlePot() [1/2]

◆ addParticlePot() [2/2]

◆ addPrevDensity()

◆ addPrevElectricField()

◆ addPrevFlucQFrc()

◆ addPrevFlucQPos()

◆ addPrevFlucQVel()

◆ addPrevFrc()

◆ addPrevParticlePot()

◆ addPrevSitePotential()

◆ addPrevTrq()

◆ addProperty()

◆ addSitePotential() [1/2]

◆ addSitePotential() [2/2]

◆ addTrq() [1/2]

◆ addTrq() [2/2]

◆ body2Lab() [1/2]

◆ body2Lab() [2/2]

◆ combineForcesAndTorques()

◆ freeze()

◆ getA() [1/2]

◆ getA() [2/2]

◆ getCOM() [1/2]

◆ getCOM() [2/2]

◆ getCOMvel() [1/2]

◆ getCOMvel() [2/2]

◆ getCOMw() [1/2]

◆ getCOMw() [2/2]

◆ getDensity() [1/2]

◆ getDensity() [2/2]

◆ getDipole() [1/2]

◆ getDipole() [2/2]

◆ getElectricField() [1/2]

◆ getElectricField() [2/2]

◆ getEuler() [1/2]

◆ getEuler() [2/2]

◆ getFlucQFrc() [1/2]

◆ getFlucQFrc() [2/2]

◆ getFlucQPos() [1/2]

◆ getFlucQPos() [2/2]

◆ getFlucQVel() [1/2]

◆ getFlucQVel() [2/2]

◆ getFrc() [1/2]

◆ getFrc() [2/2]

◆ getGlobalIndex()

◆ getGlobalIntegrableObjectIndex()

◆ getGrad()

◆ getI()

◆ getJ() [1/2]

◆ getJ() [2/2]

◆ getLocalIndex()

◆ getMass()

◆ getParticlePot() [1/2]

◆ getParticlePot() [2/2]

◆ getPos() [1/2]

◆ getPos() [2/2]

◆ getPrevA()