OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::ConstraintElem Class Reference

#include "constraints/ConstraintElem.hpp"

Public Member Functions

 ConstraintElem (StuntDouble *sd)
 
bool getMoved ()
 
void setMoved (bool moved)
 
bool getMoving ()
 
void setMoving (bool moving)
 
StuntDoublegetStuntDouble ()
 
int getGlobalIndex ()
 
void setGlobalIndex (int index)
 
int getLocalIndex ()
 
void setLocalIndex (int index)
 
void setSnapshotManager (SnapshotManager *sman)
 
bool isAtom ()
 
bool isDirectionalAtom ()
 
bool isRigidBody ()
 
bool isDirectional ()
 
Vector3d getPrevPos ()
 
Vector3d getPos ()
 
Vector3d getPos (int snapshotNo)
 
void setPrevPos (const Vector3d &pos)
 
void setPos (const Vector3d &pos)
 
void setPos (const Vector3d &pos, int snapshotNo)
 
Vector3d getPrevVel ()
 
Vector3d getVel ()
 
Vector3d getVel (int snapshotNo)
 
void setPrevVel (const Vector3d &vel)
 
void setVel (const Vector3d &vel)
 
void setVel (const Vector3d &vel, int snapshotNo)
 
RotMat3x3d getPrevA ()
 
RotMat3x3d getA ()
 
RotMat3x3d getA (int snapshotNo)
 
void setPrevA (const RotMat3x3d &a)
 
void setA (const RotMat3x3d &a)
 
void setA (const RotMat3x3d &a, int snapshotNo)
 
Vector3d getPrevJ ()
 
Vector3d getJ ()
 
Vector3d getJ (int snapshotNo)
 
void setPrevJ (const Vector3d &angMom)
 
void setJ (const Vector3d &angMom)
 
void setJ (const Vector3d &angMom, int snapshotNo)
 
Quat4d getPrevQ ()
 
Quat4d getQ ()
 
Quat4d getQ (int snapshotNo)
 
void setPrevQ (const Quat4d &q)
 
void setQ (const Quat4d &q)
 
void setQ (const Quat4d &q, int snapshotNo)
 
Vector3d getPrevEuler ()
 
Vector3d getEuler ()
 
Vector3d getEuler (int snapshotNo)
 
void setPrevEuler (const Vector3d &euler)
 
void setEuler (const Vector3d &euler)
 
void setEuler (const Vector3d &euler, int snapshotNo)
 
Vector3d getPrevDipole ()
 
Vector3d getDipole ()
 
Vector3d getDipole (int snapshotNo)
 
Mat3x3d getPrevQuadrupole ()
 
Mat3x3d getQuadrupole ()
 
Mat3x3d getQuadrupole (int snapshotNo)
 
Vector3d getPrevFrc ()
 
Vector3d getFrc ()
 
Vector3d getFrc (int snapshotNo)
 
void setPrevFrc (const Vector3d &frc)
 
void setFrc (const Vector3d &frc)
 
void setFrc (const Vector3d &frc, int snapshotNo)
 
void addPrevFrc (const Vector3d &frc)
 
void addFrc (const Vector3d &frc)
 
void addFrc (const Vector3d &frc, int snapshotNo)
 
Vector3d getPrevTrq ()
 
Vector3d getTrq ()
 
Vector3d getTrq (int snapshotNo)
 
void setPrevTrq (const Vector3d &trq)
 
void setTrq (const Vector3d &trq)
 
void setTrq (const Vector3d &trq, int snapshotNo)
 
void addPrevTrq (const Vector3d &trq)
 
void addTrq (const Vector3d &trq)
 
void addTrq (const Vector3d &trq, int snapshotNo)
 
void zeroForcesAndTorques ()
 
Mat3x3d getI ()
 
std::vector< RealType > getGrad ()
 
bool isLinear ()
 
int linearAxis ()
 
RealType getMass ()
 
void setMass (RealType mass)
 
std::string getType ()
 
void setType (const std::string &name)
 
Vector3d lab2Body (const Vector3d &v)
 
Vector3d body2Lab (const Vector3d &v)
 
void accept (BaseVisitor *v)
 
void addProperty (GenericData *genData)
 
void removeProperty (const std::string &propName)
 
void clearProperties ()
 
std::vector< std::string > getPropertyNames ()
 
std::vector< GenericData * > getProperties ()
 
GenericDatagetPropertyByName (const std::string &propName)
 

Private Attributes

StuntDoublesd_
 
BoolGenericDatamoved_
 
BoolGenericDatamoving_
 

Detailed Description

An adapter class of StuntDouble which is used at constraint algorithm

Definition at line 56 of file ConstraintElem.hpp.

Constructor & Destructor Documentation

◆ ConstraintElem()

OpenMD::ConstraintElem::ConstraintElem ( StuntDouble sd)
inline

Member Function Documentation

◆ accept()

void OpenMD::ConstraintElem::accept ( BaseVisitor v)
inline

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
vvisitor

Definition at line 800 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::accept(), and sd_.

◆ addFrc() [1/2]

void OpenMD::ConstraintElem::addFrc ( const Vector3d frc)
inline

Adds force into the current force of this stuntdouble

Parameters
frcnew force

Definition at line 608 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addFrc(), and sd_.

◆ addFrc() [2/2]

void OpenMD::ConstraintElem::addFrc ( const Vector3d frc,
int  snapshotNo 
)
inline

Adds force into the force of this stuntdouble in specified snapshot

Parameters
frcforce to be set
snapshotNo
See also
getFrc

Definition at line 619 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addFrc(), and sd_.

◆ addPrevFrc()

void OpenMD::ConstraintElem::addPrevFrc ( const Vector3d frc)
inline

Adds force into the previous force of this stuntdouble

Parameters
frcnew force
See also
getFrc

Definition at line 600 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addPrevFrc(), and sd_.

◆ addPrevTrq()

void OpenMD::ConstraintElem::addPrevTrq ( const Vector3d trq)
inline

Adds torque into the previous torque of this stuntdouble

Parameters
trqnew torque
See also
getTrq

Definition at line 684 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addPrevTrq(), and sd_.

◆ addProperty()

void OpenMD::ConstraintElem::addProperty ( GenericData genData)
inline

Adds property into property map

Parameters
genDataGenericData to be added into PropertyMap

Definition at line 809 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addProperty(), and sd_.

◆ addTrq() [1/2]

void OpenMD::ConstraintElem::addTrq ( const Vector3d trq)
inline

Adds torque into the current torque of this stuntdouble

Parameters
trqnew torque

Definition at line 692 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addTrq(), and sd_.

◆ addTrq() [2/2]

void OpenMD::ConstraintElem::addTrq ( const Vector3d trq,
int  snapshotNo 
)
inline

Adds torque into the torque of this stuntdouble in specified snapshot

Parameters
trqtorque to be add
snapshotNo
See also
getTrq

Definition at line 703 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::addTrq(), and sd_.

◆ body2Lab()

Vector3d OpenMD::ConstraintElem::body2Lab ( const Vector3d v)
inline

Converts a body fixed vector to a lab fixed vector.

Returns
corresponding lab fixed vector
Parameters
vbody fixed vector

Definition at line 787 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::body2Lab(), and sd_.

◆ clearProperties()

void OpenMD::ConstraintElem::clearProperties ( )
inline

clear all of the properties

Definition at line 824 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::clearProperties(), and sd_.

◆ getA() [1/2]

RotMat3x3d OpenMD::ConstraintElem::getA ( )
inline

Returns the current rotation matrix of this stuntdouble

Returns
the rotation matrix of this stuntdouble

Definition at line 285 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getA(), and sd_.

◆ getA() [2/2]

RotMat3x3d OpenMD::ConstraintElem::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 295 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getA(), and sd_.

◆ getDipole() [1/2]

Vector3d OpenMD::ConstraintElem::getDipole ( )
inline

Returns the current dipole vector of this stuntDouble

Returns
the dipole vector of this stuntDouble

Definition at line 498 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getDipole(), and sd_.

◆ getDipole() [2/2]

Vector3d OpenMD::ConstraintElem::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 508 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getDipole(), and sd_.

◆ getEuler() [1/2]

Vector3d OpenMD::ConstraintElem::getEuler ( )
inline

Returns the current euler angles of this stuntdouble

Returns
the euler angles of this stuntdouble

Definition at line 444 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getEuler(), and sd_.

◆ getEuler() [2/2]

Vector3d OpenMD::ConstraintElem::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 453 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getEuler(), and sd_.

◆ getFrc() [1/2]

Vector3d OpenMD::ConstraintElem::getFrc ( )
inline

Returns the current force of this stuntdouble

Returns
the force of this stuntdouble

Definition at line 551 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getFrc(), and sd_.

Referenced by OpenMD::Shake::constraintPairF().

◆ getFrc() [2/2]

Vector3d OpenMD::ConstraintElem::getFrc ( int  snapshotNo)
inline

Returns the force of this stuntdouble in specified snapshot

Returns
the force of this stuntdouble
Parameters
snapshotNo

Definition at line 561 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getFrc(), and sd_.

◆ getGlobalIndex()

int OpenMD::ConstraintElem::getGlobalIndex ( )
inline

Returns the global index of this stuntRealType.

Returns
the global index of this stuntdouble

Definition at line 101 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getGlobalIndex(), and sd_.

◆ getGrad()

std::vector<RealType> OpenMD::ConstraintElem::getGrad ( )
inline

Returns the gradient of this stuntdouble

Returns
the gradient of this stuntdouble

Definition at line 723 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getGrad(), and sd_.

◆ getI()

Mat3x3d OpenMD::ConstraintElem::getI ( )
inline

Returns the inertia tensor of this stuntdouble

Returns
the inertia tensor of this stuntdouble

Definition at line 715 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getI(), and sd_.

◆ getJ() [1/2]

Vector3d OpenMD::ConstraintElem::getJ ( )
inline

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

Returns
the angular momentum of this stuntdouble

Definition at line 338 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getJ(), and sd_.

◆ getJ() [2/2]

Vector3d OpenMD::ConstraintElem::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 347 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getJ(), and sd_.

◆ getLocalIndex()

int OpenMD::ConstraintElem::getLocalIndex ( )
inline

Returns the local index of this stuntdouble

Returns
the local index of this stuntdouble

Definition at line 117 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getLocalIndex(), and sd_.

◆ getMass()

RealType OpenMD::ConstraintElem::getMass ( )
inline

◆ getMoved()

bool OpenMD::ConstraintElem::getMoved ( )
inline

◆ getMoving()

bool OpenMD::ConstraintElem::getMoving ( )
inline

◆ getPos() [1/2]

Vector3d OpenMD::ConstraintElem::getPos ( )
inline

Returns the current position of this stuntdouble

Returns
the position of this stuntdouble

Definition at line 180 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPos(), and sd_.

Referenced by OpenMD::Rattle::constraintPairA(), OpenMD::Rattle::constraintPairB(), OpenMD::Shake::constraintPairF(), and OpenMD::Shake::constraintPairR().

◆ getPos() [2/2]

Vector3d OpenMD::ConstraintElem::getPos ( int  snapshotNo)
inline

Returns the position of this stuntdouble in specified snapshot

Returns
the position of this stuntdouble
Parameters
snapshotNo

Definition at line 189 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPos(), and sd_.

◆ getPrevA()

RotMat3x3d OpenMD::ConstraintElem::getPrevA ( )
inline

Returns the previous rotation matrix of this stuntdouble

Returns
the rotation matrix of this stuntdouble

Definition at line 277 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevA(), and sd_.

◆ getPrevDipole()

Vector3d OpenMD::ConstraintElem::getPrevDipole ( )
inline

Returns the previous dipole vector of this stuntDouble

Returns
the dipole vector of this stuntDouble

Definition at line 490 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevDipole(), and sd_.

◆ getPrevEuler()

Vector3d OpenMD::ConstraintElem::getPrevEuler ( )
inline

Returns the previous euler angles of this stuntdouble

Returns
the euler angles of this stuntdouble

Definition at line 436 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevEuler(), and sd_.

◆ getPrevFrc()

Vector3d OpenMD::ConstraintElem::getPrevFrc ( )
inline

Returns the previous force of this stuntdouble

Returns
the force of this stuntdouble

Definition at line 543 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevFrc(), and sd_.

◆ getPrevJ()

Vector3d OpenMD::ConstraintElem::getPrevJ ( )
inline

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

Returns
the angular momentum of this stuntdouble

Definition at line 330 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevJ(), and sd_.

◆ getPrevPos()

Vector3d OpenMD::ConstraintElem::getPrevPos ( )
inline

Returns the previous position of this stuntdouble

Returns
the position of this stuntdouble

Definition at line 172 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevPos(), and sd_.

Referenced by OpenMD::Rattle::constraintPairA(), and OpenMD::Shake::constraintPairR().

◆ getPrevQ()

Quat4d OpenMD::ConstraintElem::getPrevQ ( )
inline

Returns the previous quaternion of this stuntdouble

Returns
the quaternion of this stuntdouble

Definition at line 382 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevQ(), and sd_.

◆ getPrevQuadrupole()

Mat3x3d OpenMD::ConstraintElem::getPrevQuadrupole ( )
inline

Returns the previous quadrupole tensor of this stuntDouble

Returns
the quadrupole tensor of this stuntDouble

Definition at line 517 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevQuadrupole(), and sd_.

◆ getPrevTrq()

Vector3d OpenMD::ConstraintElem::getPrevTrq ( )
inline

Returns the previous torque of this stuntdouble

Returns
the torque of this stuntdouble

Definition at line 627 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevTrq(), and sd_.

◆ getPrevVel()

Vector3d OpenMD::ConstraintElem::getPrevVel ( )
inline

Returns the previous velocity of this stuntdouble

Returns
the velocity of this stuntdouble

Definition at line 224 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPrevVel(), and sd_.

◆ getProperties()

std::vector<GenericData*> OpenMD::ConstraintElem::getProperties ( )
inline

Returns all of the properties in PropertyMap

Returns
all of the properties in PropertyMap

Definition at line 840 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getProperties(), and sd_.

◆ getPropertyByName()

GenericData* OpenMD::ConstraintElem::getPropertyByName ( const std::string &  propName)
inline

Returns property

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

Definition at line 850 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPropertyByName(), and sd_.

◆ getPropertyNames()

std::vector<std::string> OpenMD::ConstraintElem::getPropertyNames ( )
inline

Returns all names of properties

Returns
all names of properties

Definition at line 832 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getPropertyNames(), and sd_.

◆ getQ() [1/2]

Quat4d OpenMD::ConstraintElem::getQ ( )
inline

Returns the current quaternion of this stuntdouble

Returns
the quaternion of this stuntdouble

Definition at line 390 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getQ(), and sd_.

◆ getQ() [2/2]

Quat4d OpenMD::ConstraintElem::getQ ( int  snapshotNo)
inline

Returns the quaternion of this stuntdouble in specified snapshot

Returns
the quaternion of this stuntdouble
Parameters
snapshotNo

Definition at line 399 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getQ(), and sd_.

◆ getQuadrupole() [1/2]

Mat3x3d OpenMD::ConstraintElem::getQuadrupole ( )
inline

Returns the current quadrupole tensor of this stuntDouble

Returns
the quadrupole tensor of this stuntDouble

Definition at line 525 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getQuadrupole(), and sd_.

◆ getQuadrupole() [2/2]

Mat3x3d OpenMD::ConstraintElem::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 535 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getQuadrupole(), and sd_.

◆ getStuntDouble()

StuntDouble* OpenMD::ConstraintElem::getStuntDouble ( )
inline

Definition at line 95 of file ConstraintElem.hpp.

References sd_.

Referenced by OpenMD::MoleculeCreator::createConstraintElem().

◆ getTrq() [1/2]

Vector3d OpenMD::ConstraintElem::getTrq ( )
inline

Returns the current torque of this stuntdouble

Returns
the torque of this stuntdouble

Definition at line 635 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getTrq(), and sd_.

◆ getTrq() [2/2]

Vector3d OpenMD::ConstraintElem::getTrq ( int  snapshotNo)
inline

Returns the torque of this stuntdouble in specified snapshot

Returns
the torque of this stuntdouble
Parameters
snapshotNo

Definition at line 645 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getTrq(), and sd_.

◆ getType()

std::string OpenMD::ConstraintElem::getType ( )
inline

Returns the name of this stuntdouble

Definition at line 764 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getType(), and sd_.

◆ getVel() [1/2]

Vector3d OpenMD::ConstraintElem::getVel ( )
inline

Returns the current velocity of this stuntdouble

Returns
the velocity of this stuntdouble

Definition at line 232 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getVel(), and sd_.

Referenced by OpenMD::Rattle::constraintPairA(), and OpenMD::Rattle::constraintPairB().

◆ getVel() [2/2]

Vector3d OpenMD::ConstraintElem::getVel ( int  snapshotNo)
inline

Returns the velocity of this stuntdouble in specified snapshot

Returns
the velocity of this stuntdouble
Parameters
snapshotNo

Definition at line 242 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::getVel(), and sd_.

◆ isAtom()

bool OpenMD::ConstraintElem::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 140 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::isAtom(), and sd_.

◆ isDirectional()

bool OpenMD::ConstraintElem::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 164 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::isDirectional(), and sd_.

◆ isDirectionalAtom()

bool OpenMD::ConstraintElem::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 148 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::isDirectional(), and sd_.

◆ isLinear()

bool OpenMD::ConstraintElem::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 735 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::isLinear(), and sd_.

◆ isRigidBody()

bool OpenMD::ConstraintElem::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 156 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::isRigidBody(), and sd_.

◆ lab2Body()

Vector3d OpenMD::ConstraintElem::lab2Body ( const Vector3d v)
inline

Converts a lab fixed vector to a body fixed vector.

Returns
body fixed vector
Parameters
vlab fixed vector

Definition at line 778 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::lab2Body(), and sd_.

◆ linearAxis()

int OpenMD::ConstraintElem::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 746 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::linearAxis(), and sd_.

◆ removeProperty()

void OpenMD::ConstraintElem::removeProperty ( const std::string &  propName)
inline

Removes property from PropertyMap by name

Parameters
propNamethe name of property to be removed

Definition at line 817 of file ConstraintElem.hpp.

References OpenMD::StuntDouble::removeProperty(), and sd_.

◆ setA() [1/2]

void OpenMD::ConstraintElem::setA ( const RotMat3x3d a)
inline

Sets the current rotation matrix of this stuntdouble

Parameters
anew rotation matrix

Definition at line 312 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setA().

◆ setA() [2/2]

void OpenMD::ConstraintElem::setA ( const RotMat3x3d a,
int  snapshotNo 
)
inline

Sets the rotation matrix of this stuntdouble in specified snapshot

Parameters
arotation matrix to be set
snapshotNo
See also
getA

Definition at line 322 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setA().

◆ setEuler() [1/2]

void OpenMD::ConstraintElem::setEuler ( const Vector3d euler)
inline

Sets the current euler angles of this stuntdouble

Parameters
eulernew euler angles

Definition at line 471 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setEuler().

◆ setEuler() [2/2]

void OpenMD::ConstraintElem::setEuler ( const Vector3d euler,
int  snapshotNo 
)
inline

Sets the euler angles of this stuntdouble in specified snapshot

Parameters
eulereuler angles to be set
snapshotNo
Note
actual storage data is rotation matrix

Definition at line 482 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setEuler().

◆ setFrc() [1/2]

void OpenMD::ConstraintElem::setFrc ( const Vector3d frc)
inline

Sets the current force of this stuntdouble

Parameters
frcnew force

Definition at line 579 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setFrc().

Referenced by OpenMD::Shake::constraintPairF().

◆ setFrc() [2/2]

void OpenMD::ConstraintElem::setFrc ( const Vector3d frc,
int  snapshotNo 
)
inline

Sets the force of this stuntdouble in specified snapshot

Parameters
frcforce to be set
snapshotNo
See also
getFrc

Definition at line 590 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setFrc().

◆ setGlobalIndex()

void OpenMD::ConstraintElem::setGlobalIndex ( int  index)
inline

Sets the global index of this stuntRealType.

Parameters
indexnew global index to be set

Definition at line 109 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setGlobalIndex().

◆ setJ() [1/2]

void OpenMD::ConstraintElem::setJ ( const Vector3d angMom)
inline

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

Parameters
angMomnew angular momentum

Definition at line 364 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setJ().

◆ setJ() [2/2]

void OpenMD::ConstraintElem::setJ ( const Vector3d angMom,
int  snapshotNo 
)
inline

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

Parameters
angMomangular momentum to be set
snapshotNo
See also
getJ

Definition at line 374 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setJ().

◆ setLocalIndex()

void OpenMD::ConstraintElem::setLocalIndex ( int  index)
inline

Sets the local index of this stuntdouble

Parameters
indexnew index to be set

Definition at line 125 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setLocalIndex().

◆ setMass()

void OpenMD::ConstraintElem::setMass ( RealType  mass)
inline

Sets the mass of this stuntdoulbe

Parameters
massthe mass to be set

Definition at line 759 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setMass().

◆ setMoved()

void OpenMD::ConstraintElem::setMoved ( bool  moved)
inline

◆ setMoving()

void OpenMD::ConstraintElem::setMoving ( bool  moving)
inline

◆ setPos() [1/2]

void OpenMD::ConstraintElem::setPos ( const Vector3d pos)
inline

Sets the current position of this stuntdouble

Parameters
posnew position

Definition at line 206 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPos().

Referenced by OpenMD::Rattle::constraintPairA(), and OpenMD::Shake::constraintPairR().

◆ setPos() [2/2]

void OpenMD::ConstraintElem::setPos ( const Vector3d pos,
int  snapshotNo 
)
inline

Sets the position of this stuntdouble in specified snapshot

Parameters
posposition to be set
snapshotNo
See also
getPos

Definition at line 216 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPos().

◆ setPrevA()

void OpenMD::ConstraintElem::setPrevA ( const RotMat3x3d a)
inline

Sets the previous rotation matrix of this stuntdouble

Parameters
anew rotation matrix
See also
getA

Definition at line 304 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevA().

◆ setPrevEuler()

void OpenMD::ConstraintElem::setPrevEuler ( const Vector3d euler)
inline

Sets the previous euler angles of this stuntRealType.

Parameters
eulernew euler angles
See also
getEuler
Note
actual storage data is rotation matrix

Definition at line 463 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevEuler().

◆ setPrevFrc()

void OpenMD::ConstraintElem::setPrevFrc ( const Vector3d frc)
inline

Sets the previous force of this stuntdouble

Parameters
frcnew force
See also
getFrc

Definition at line 571 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevFrc().

◆ setPrevJ()

void OpenMD::ConstraintElem::setPrevJ ( const Vector3d angMom)
inline

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

Parameters
angMomnew angular momentum
See also
getJ

Definition at line 356 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevJ().

◆ setPrevPos()

void OpenMD::ConstraintElem::setPrevPos ( const Vector3d pos)
inline

Sets the previous position of this stuntdouble

Parameters
posnew position
See also
getPos

Definition at line 198 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevPos().

◆ setPrevQ()

void OpenMD::ConstraintElem::setPrevQ ( const Quat4d q)
inline

Sets the previous quaternion of this stuntdouble

Parameters
qnew quaternion
Note
actual storage data is rotation matrix

Definition at line 408 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevQ().

◆ setPrevTrq()

void OpenMD::ConstraintElem::setPrevTrq ( const Vector3d trq)
inline

Sets the previous torque of this stuntdouble

Parameters
trqnew torque
See also
getTrq

Definition at line 655 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevTrq().

◆ setPrevVel()

void OpenMD::ConstraintElem::setPrevVel ( const Vector3d vel)
inline

Sets the previous velocity of this stuntdouble

Parameters
velnew velocity
See also
getVel

Definition at line 251 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setPrevVel().

◆ setQ() [1/2]

void OpenMD::ConstraintElem::setQ ( const Quat4d q)
inline

Sets the current quaternion of this stuntdouble

Parameters
qnew quaternion
Note
actual storage data is rotation matrix

Definition at line 417 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setQ().

◆ setQ() [2/2]

void OpenMD::ConstraintElem::setQ ( const Quat4d q,
int  snapshotNo 
)
inline

Sets the quaternion of this stuntdouble in specified snapshot

Parameters
qquaternion to be set
snapshotNo
Note
actual storage data is rotation matrix

Definition at line 428 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setQ().

◆ setSnapshotManager()

void OpenMD::ConstraintElem::setSnapshotManager ( SnapshotManager sman)
inline

Sets the Snapshot Manager of this stuntdouble

Definition at line 132 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setSnapshotManager().

◆ setTrq() [1/2]

void OpenMD::ConstraintElem::setTrq ( const Vector3d trq)
inline

Sets the current torque of this stuntdouble

Parameters
trqnew torque

Definition at line 663 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setTrq().

◆ setTrq() [2/2]

void OpenMD::ConstraintElem::setTrq ( const Vector3d trq,
int  snapshotNo 
)
inline

Sets the torque of this stuntdouble in specified snapshot

Parameters
trqtorque to be set
snapshotNo
See also
getTrq

Definition at line 674 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setTrq().

◆ setType()

void OpenMD::ConstraintElem::setType ( const std::string &  name)
inline

Sets the name of this stuntRealType

Definition at line 769 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setType().

◆ setVel() [1/2]

void OpenMD::ConstraintElem::setVel ( const Vector3d vel)
inline

Sets the current velocity of this stuntdouble

Parameters
velnew velocity

Definition at line 259 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setVel().

Referenced by OpenMD::Rattle::constraintPairA(), and OpenMD::Rattle::constraintPairB().

◆ setVel() [2/2]

void OpenMD::ConstraintElem::setVel ( const Vector3d vel,
int  snapshotNo 
)
inline

Sets the velocity of this stuntdouble in specified snapshot

Parameters
velvelocity to be set
snapshotNo
See also
getVel

Definition at line 269 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::setVel().

◆ zeroForcesAndTorques()

void OpenMD::ConstraintElem::zeroForcesAndTorques ( )
inline

Set the force of this stuntdouble to zero

Definition at line 708 of file ConstraintElem.hpp.

References sd_, and OpenMD::StuntDouble::zeroForcesAndTorques().

Member Data Documentation

◆ moved_

BoolGenericData* OpenMD::ConstraintElem::moved_
private

Definition at line 856 of file ConstraintElem.hpp.

Referenced by ConstraintElem(), getMoved(), and setMoved().

◆ moving_

BoolGenericData* OpenMD::ConstraintElem::moving_
private

Definition at line 857 of file ConstraintElem.hpp.

Referenced by ConstraintElem(), getMoving(), and setMoving().

◆ sd_


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