#include <RotThermBondedInteraction.h>

Inheritance diagram for CRotThermBondedInteraction:

Collaboration diagram for CRotThermBondedInteraction:

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Public Types
typedef CRotThermBondedIGP	ParameterType

typedef BondedInteractionCpData	CheckPointable

typedef double(CRotThermBondedInteraction::*	ScalarFieldFunction) () const

typedef pair< bool, double >(CRotThermBondedInteraction::*	CheckedScalarFieldFunction) () const

typedef Vec3(CRotThermBondedInteraction::*	VectorFieldFunction) () const

Public Member Functions
	CRotThermBondedInteraction ()

	CRotThermBondedInteraction (CRotThermParticle , CRotThermParticle , const CRotThermBondedIGP &)

virtual	~CRotThermBondedInteraction ()

int	getTag () const

void	setTag (int tag)

void	calcForces ()

void	calcHeatTrans ()

bool	broken ()

Vec3	getBondedVector1 () const

Vec3	getBondedVector2 () const

double	getPotentialEnergy () const

double	getNormalPotentialEnergy () const

double	getShearPotentialEnergy () const

double	getTwistPotentialEnergy () const

double	getBendPotentialEnergy () const

double	getCriterion () const

Vec3	getForce () const

virtual Vec3	getPos () const

Vec3	getCentrePtDiff () const

Vec3	getInitialCentrePtDiff () const

Vec3	getInitialMidPoint () const

Vec3	getShearDiff () const

virtual void	saveCheckPointData (std::ostream &oStream)

virtual void	loadCheckPointData (std::istream &iStream)

virtual void	saveRestartData (std::ostream &oStream)

virtual void	loadRestartData (std::istream &iStream)

Public Member Functions inherited from ARotThermPairInteraction
	ARotThermPairInteraction ()

	ARotThermPairInteraction (CRotThermParticle , CRotThermParticle )

virtual	~ARotThermPairInteraction ()

const CRotThermParticle *	first () const

const CRotThermParticle *	second () const

CRotThermParticle *	first ()

CRotThermParticle *	second ()

pair< int, int >	getPairID () const

virtual void	calcHeatFrict ()

void	checkIDs ()

virtual bool	hasTag (int, int) const

virtual Vec3	getPosFirst () const

virtual Vec3	getPosSecond () const

void	setPP (CRotThermParticle , CRotThermParticle )

void	setPP (const vector< CRotThermParticle * >)

esys::lsm::quintuple< Vec3, double, Vec3, double, Vec3 >	getRaw2Data () const

Public Member Functions inherited from AInteraction
	AInteraction ()

virtual	~AInteraction ()

bool	initialized () const

vector< int >	getAllID () const

int	getID ()

double	Count () const

Static Public Member Functions
static ScalarFieldFunction	getScalarFieldFunction (const string &)

static CheckedScalarFieldFunction	getCheckedScalarFieldFunction (const string &)

static VectorFieldFunction	getVectorFieldFunction (const string &)

static string	getType ()

Private Attributes
double	m_dist
	current distance, cached from last calcForces() More...

double	m_min_r

double	m_kr
	spring constant More...

double	m_ks

double	m_kb

double	m_kt

double	m_diffusivity

double	m_max_nForce

double	m_max_shForce

double	m_max_tMoment

double	m_max_bMoment

double	m_nForce

double	m_shForce

double	m_tMoment

double	m_bMoment

Vec3	m_force
	current force, cached for E_pot calculation More...

Vec3	m_moment

Vec3	m_cpos

int	m_tag

Friends
class	TML_PackedMessageInterface

ostream &	operator<< (ostream &, const CRotThermBondedInteraction &)

Additional Inherited Members
Protected Attributes inherited from ARotThermPairInteraction
CRotThermParticle *	m_p1

CRotThermParticle *	m_p2

Protected Attributes inherited from AInteraction
vector< int >	m_id
	id's of the particles involved More...

int	m_iid
	interaction id More...

bool	m_init

Detailed Description

Interaction between bonded, thermal, rotational particles

Member Typedef Documentation

◆ CheckedScalarFieldFunction

typedef pair<bool,double>(CRotThermBondedInteraction::* CRotThermBondedInteraction::CheckedScalarFieldFunction) () const

◆ CheckPointable

typedef BondedInteractionCpData CRotThermBondedInteraction::CheckPointable

Used by PIS to save/load check-point data for objects of this type.

◆ ParameterType

typedef CRotThermBondedIGP CRotThermBondedInteraction::ParameterType

◆ ScalarFieldFunction

typedef double(CRotThermBondedInteraction::* CRotThermBondedInteraction::ScalarFieldFunction) () const

◆ VectorFieldFunction

typedef Vec3(CRotThermBondedInteraction::* CRotThermBondedInteraction::VectorFieldFunction) () const

Constructor & Destructor Documentation

◆ CRotThermBondedInteraction() [1/2]

CRotThermBondedInteraction::CRotThermBondedInteraction ( )

References m_bMoment, m_diffusivity, m_force, m_kb, m_kr, m_ks, m_kt, m_max_bMoment, m_max_nForce, m_max_shForce, m_max_tMoment, m_min_r, m_moment, m_nForce, m_shForce, m_tag, and m_tMoment.

◆ CRotThermBondedInteraction() [2/2]

CRotThermBondedInteraction::CRotThermBondedInteraction	(	CRotThermParticle *	p1,
		CRotThermParticle *	p2,
		const CRotThermBondedIGP &	param
	)

◆ ~CRotThermBondedInteraction()

CRotThermBondedInteraction::~CRotThermBondedInteraction ( )

virtual

Member Function Documentation

◆ broken()

bool CRotThermBondedInteraction::broken ( )

References console, Console::Debug(), CBasicParticle::getID(), CBasicParticle::getPos(), m_bMoment, m_dist, m_max_bMoment, m_max_nForce, m_max_shForce, m_max_tMoment, m_nForce, ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, m_shForce, m_tMoment, NULL, and CParticle::setFlag().

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◆ calcForces()

void CRotThermBondedInteraction::calcForces ( )

virtual

Implements ARotThermPairInteraction.

References CParticle::applyForce(), CRotParticleVi::applyMoment(), calc_angle(), cross(), dot(), CParticle::getInitPos(), CBasicParticle::getPos(), CRotParticleVi::getQuat(), CBasicParticle::getRad(), m_bMoment, m_cpos, m_dist, m_force, m_kb, m_kr, m_ks, m_kt, m_moment, m_nForce, ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, m_shForce, m_tMoment, Vec3::norm(), Quaternion::return_sca(), Quaternion::return_vec(), Quaternion::to_matrix(), Matrix3::trans(), Vec3::X(), Vec3::Y(), and Vec3::Z().

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◆ calcHeatTrans()

void CRotThermBondedInteraction::calcHeatTrans ( )

virtual

Reimplemented from ARotThermPairInteraction.

References CRotThermParticle::applyHeatTrans(), CBasicParticle::getPos(), CThermParticle::getTemperature(), m_diffusivity, ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, and Vec3::norm2().

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◆ getBendPotentialEnergy()

double CRotThermBondedInteraction::getBendPotentialEnergy ( ) const

References m_bMoment, and m_kb.

Referenced by getScalarFieldFunction().

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◆ getBondedVector1()

Vec3 CRotThermBondedInteraction::getBondedVector1 ( ) const

References CBasicParticle::getPos(), CBasicParticle::getRad(), ARotThermPairInteraction::m_p1, and ARotThermPairInteraction::m_p2.

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◆ getBondedVector2()

Vec3 CRotThermBondedInteraction::getBondedVector2 ( ) const

References CBasicParticle::getPos(), CBasicParticle::getRad(), ARotThermPairInteraction::m_p1, and ARotThermPairInteraction::m_p2.

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◆ getCentrePtDiff()

Vec3 CRotThermBondedInteraction::getCentrePtDiff ( ) const

References CBasicParticle::getPos(), ARotThermPairInteraction::m_p1, and ARotThermPairInteraction::m_p2.

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◆ getCheckedScalarFieldFunction()

CRotThermBondedInteraction::CheckedScalarFieldFunction CRotThermBondedInteraction::getCheckedScalarFieldFunction ( const string & name )

static

Get the particle member function which returns a checked scalar field of a given name.

Parameters

name	the name of the field

References NULL.

◆ getCriterion()

double CRotThermBondedInteraction::getCriterion ( ) const

References m_bMoment, m_max_bMoment, m_max_nForce, m_max_shForce, m_max_tMoment, m_nForce, m_shForce, and m_tMoment.

Referenced by getScalarFieldFunction().

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◆ getForce()

Vec3 CRotThermBondedInteraction::getForce ( ) const

References m_force.

Referenced by getVectorFieldFunction().

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◆ getInitialCentrePtDiff()

Vec3 CRotThermBondedInteraction::getInitialCentrePtDiff ( ) const

References CParticle::getInitPos(), ARotThermPairInteraction::m_p1, and ARotThermPairInteraction::m_p2.

Referenced by getInitialMidPoint().

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◆ getInitialMidPoint()

Vec3 CRotThermBondedInteraction::getInitialMidPoint ( ) const

References getInitialCentrePtDiff(), CBasicParticle::getRad(), ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, and Vec3::norm().

Referenced by getShearDiff().

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◆ getNormalPotentialEnergy()

double CRotThermBondedInteraction::getNormalPotentialEnergy ( ) const

References m_kr, and m_nForce.

Referenced by getScalarFieldFunction().

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◆ getPos()

virtual Vec3 CRotThermBondedInteraction::getPos ( ) const

inlinevirtual

Implements ARotThermPairInteraction.

References m_cpos.

◆ getPotentialEnergy()

double CRotThermBondedInteraction::getPotentialEnergy ( ) const

References m_bMoment, m_kb, m_kr, m_ks, m_kt, m_nForce, m_shForce, and m_tMoment.

Referenced by getScalarFieldFunction().

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◆ getScalarFieldFunction()

CRotThermBondedInteraction::ScalarFieldFunction CRotThermBondedInteraction::getScalarFieldFunction ( const string & name )

static

Get the particle member function which returns a scalar field of a given name.

Parameters

name	the name of the field

References AInteraction::Count(), getBendPotentialEnergy(), getCriterion(), getNormalPotentialEnergy(), getPotentialEnergy(), getShearPotentialEnergy(), getTwistPotentialEnergy(), and NULL.

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◆ getShearDiff()

Vec3 CRotThermBondedInteraction::getShearDiff ( ) const

References getInitialMidPoint(), CParticle::getInitPos(), CBasicParticle::getPos(), CRotParticleVi::getQuat(), ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, and Quaternion::to_matrix().

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◆ getShearPotentialEnergy()

double CRotThermBondedInteraction::getShearPotentialEnergy ( ) const

References m_ks, and m_shForce.

Referenced by getScalarFieldFunction().

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◆ getTag()

int CRotThermBondedInteraction::getTag ( ) const

References m_tag.

Referenced by saveRestartData().

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◆ getTwistPotentialEnergy()

double CRotThermBondedInteraction::getTwistPotentialEnergy ( ) const

References m_kt, and m_tMoment.

Referenced by getScalarFieldFunction().

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◆ getType()

static string CRotThermBondedInteraction::getType ( )

inlinestatic

◆ getVectorFieldFunction()

CRotThermBondedInteraction::VectorFieldFunction CRotThermBondedInteraction::getVectorFieldFunction ( const string & name )

static

Get the particle member function which returns a vector field of a given name.

Parameters

name	the name of the field

References getForce(), and NULL.

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◆ loadCheckPointData()

void CRotThermBondedInteraction::loadCheckPointData ( std::istream & iStream )

virtual

◆ loadRestartData()

void CRotThermBondedInteraction::loadRestartData ( std::istream & iStream )

virtual

load restart data from stream

Parameters

iStream the input stream

References m_diffusivity, AInteraction::m_id, AInteraction::m_init, m_kb, m_kr, m_ks, m_kt, m_max_bMoment, m_max_nForce, m_max_shForce, m_max_tMoment, and setTag().

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◆ saveCheckPointData()

void CRotThermBondedInteraction::saveCheckPointData ( std::ostream & oStream )

virtual

◆ saveRestartData()

void CRotThermBondedInteraction::saveRestartData ( std::ostream & oStream )

virtual

save restart data to ostream

Parameters

oStream the output stream

References getTag(), m_diffusivity, AInteraction::m_id, AInteraction::m_init, m_kb, m_kr, m_ks, m_kt, m_max_bMoment, m_max_nForce, m_max_shForce, and m_max_tMoment.

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◆ setTag()

void CRotThermBondedInteraction::setTag ( int tag )

References m_tag.

Referenced by loadRestartData().

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Friends And Related Function Documentation

◆ operator<<

ostream& operator<<	(	ostream &	ost,
		const CRotThermBondedInteraction &	BI
	)

friend

◆ TML_PackedMessageInterface

friend class TML_PackedMessageInterface

friend

Member Data Documentation

◆ m_bMoment

double CRotThermBondedInteraction::m_bMoment

private

Referenced by broken(), calcForces(), CRotThermBondedInteraction(), getBendPotentialEnergy(), getCriterion(), and getPotentialEnergy().

◆ m_cpos

Vec3 CRotThermBondedInteraction::m_cpos

private

Referenced by calcForces(), and getPos().

◆ m_diffusivity

double CRotThermBondedInteraction::m_diffusivity

private

Referenced by calcHeatTrans(), CRotThermBondedInteraction(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_dist

double CRotThermBondedInteraction::m_dist

private

current distance, cached from last calcForces()

Referenced by broken(), calcForces(), and CRotThermBondedInteraction().

◆ m_force

Vec3 CRotThermBondedInteraction::m_force

private

current force, cached for E_pot calculation

Referenced by calcForces(), CRotThermBondedInteraction(), and getForce().

◆ m_kb

double CRotThermBondedInteraction::m_kb

private

Referenced by calcForces(), CRotThermBondedInteraction(), getBendPotentialEnergy(), getPotentialEnergy(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_kr

double CRotThermBondedInteraction::m_kr

private

spring constant

Referenced by calcForces(), CRotThermBondedInteraction(), getNormalPotentialEnergy(), getPotentialEnergy(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_ks

double CRotThermBondedInteraction::m_ks

private

Referenced by calcForces(), CRotThermBondedInteraction(), getPotentialEnergy(), getShearPotentialEnergy(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_kt

double CRotThermBondedInteraction::m_kt

private

Referenced by calcForces(), CRotThermBondedInteraction(), getPotentialEnergy(), getTwistPotentialEnergy(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_max_bMoment

double CRotThermBondedInteraction::m_max_bMoment

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_max_nForce

double CRotThermBondedInteraction::m_max_nForce

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_max_shForce

double CRotThermBondedInteraction::m_max_shForce

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_max_tMoment

double CRotThermBondedInteraction::m_max_tMoment

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), TML_PackedMessageInterface::pack(), saveRestartData(), and TML_PackedMessageInterface::unpack().

◆ m_min_r

double CRotThermBondedInteraction::m_min_r

private

Referenced by CRotThermBondedInteraction().

◆ m_moment

Vec3 CRotThermBondedInteraction::m_moment

private

Referenced by calcForces(), and CRotThermBondedInteraction().

◆ m_nForce

double CRotThermBondedInteraction::m_nForce

private

Referenced by broken(), calcForces(), CRotThermBondedInteraction(), getCriterion(), getNormalPotentialEnergy(), and getPotentialEnergy().

◆ m_shForce

double CRotThermBondedInteraction::m_shForce

private

Referenced by broken(), calcForces(), CRotThermBondedInteraction(), getCriterion(), getPotentialEnergy(), and getShearPotentialEnergy().

◆ m_tag

int CRotThermBondedInteraction::m_tag

private

Referenced by CRotThermBondedInteraction(), getTag(), and setTag().

◆ m_tMoment

double CRotThermBondedInteraction::m_tMoment

private

Referenced by broken(), calcForces(), CRotThermBondedInteraction(), getCriterion(), getPotentialEnergy(), and getTwistPotentialEnergy().

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

Model/RotThermBondedInteraction.h
Model/RotThermBondedInteraction.cpp

Public Types

Public Member Functions

Static Public Member Functions

Private Attributes

Friends

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ CheckedScalarFieldFunction

◆ CheckPointable

◆ ParameterType

◆ ScalarFieldFunction

◆ VectorFieldFunction

Constructor & Destructor Documentation

◆ CRotThermBondedInteraction() [1/2]

◆ CRotThermBondedInteraction() [2/2]

◆ ~CRotThermBondedInteraction()

Member Function Documentation

◆ broken()

◆ calcForces()

◆ calcHeatTrans()

◆ getBendPotentialEnergy()

◆ getBondedVector1()

◆ getBondedVector2()

◆ getCentrePtDiff()

◆ getCheckedScalarFieldFunction()

◆ getCriterion()

◆ getForce()

◆ getInitialCentrePtDiff()

◆ getInitialMidPoint()

◆ getNormalPotentialEnergy()

◆ getPos()

◆ getPotentialEnergy()

◆ getScalarFieldFunction()

◆ getShearDiff()

◆ getShearPotentialEnergy()

◆ getTag()

◆ getTwistPotentialEnergy()

◆ getType()

◆ getVectorFieldFunction()

◆ loadCheckPointData()

◆ loadRestartData()

◆ saveCheckPointData()

◆ saveRestartData()

◆ setTag()

Friends And Related Function Documentation

◆ operator<<

◆ TML_PackedMessageInterface

Member Data Documentation

◆ m_bMoment

◆ m_cpos

◆ m_diffusivity

◆ m_dist

◆ m_force

◆ m_kb

◆ m_kr

◆ m_ks

◆ m_kt

◆ m_max_bMoment

◆ m_max_nForce

◆ m_max_shForce

◆ m_max_tMoment

◆ m_min_r

◆ m_moment

◆ m_nForce

◆ m_shForce

◆ m_tag

◆ m_tMoment