CRotThermBondedInteraction Class Reference

#include <RotThermBondedInteraction.h>

Inheritance diagram for CRotThermBondedInteraction:

Collaboration diagram for CRotThermBondedInteraction:

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

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

typedef BondedInteractionCpData CRotThermBondedInteraction::CheckPointable

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

typedef CRotThermBondedIGP CRotThermBondedInteraction::ParameterType

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

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

Constructor & Destructor Documentation

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

References CRotThermBondedIGP::diffusivity, CParticle::getDo2dCalculations(), CBasicParticle::getPos(), CBasicParticle::getRad(), CRotThermBondedIGP::kb, CRotThermBondedIGP::kr, CRotThermBondedIGP::ks, CRotThermBondedIGP::kt, m_bMoment, 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, ARotThermPairInteraction::m_p1, ARotThermPairInteraction::m_p2, m_shForce, m_tag, m_tMoment, CRotThermBondedIGP::max_bMoment, CRotThermBondedIGP::max_nForce, CRotThermBondedIGP::max_shForce, CRotThermBondedIGP::max_tMoment, and CRotThermBondedIGP::tag.

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CRotThermBondedInteraction::~CRotThermBondedInteraction ( )

virtual

Member Function Documentation

bool CRotThermBondedInteraction::broken

(

)

References console, BasicCon::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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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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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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double CRotThermBondedInteraction::getBendPotentialEnergy

(

)

const

References m_bMoment, and m_kb.

Referenced by getScalarFieldFunction().

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Vec3 CRotThermBondedInteraction::getBondedVector1

(

)

const

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

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Vec3 CRotThermBondedInteraction::getBondedVector2

(

)

const

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

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Vec3 CRotThermBondedInteraction::getCentrePtDiff

(

)

const

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

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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.

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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Vec3 CRotThermBondedInteraction::getForce

(

)

const

References m_force.

Referenced by getVectorFieldFunction().

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Vec3 CRotThermBondedInteraction::getInitialCentrePtDiff

(

)

const

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

Referenced by getInitialMidPoint().

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Vec3 CRotThermBondedInteraction::getInitialMidPoint

(

)

const

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

Referenced by getShearDiff().

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double CRotThermBondedInteraction::getNormalPotentialEnergy

(

)

const

References m_kr, and m_nForce.

Referenced by getScalarFieldFunction().

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virtual Vec3 CRotThermBondedInteraction::getPos ( ) const

inlinevirtual

Implements ARotThermPairInteraction.

References m_cpos.

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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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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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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double CRotThermBondedInteraction::getShearPotentialEnergy

(

)

const

References m_ks, and m_shForce.

Referenced by getScalarFieldFunction().

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int CRotThermBondedInteraction::getTag

(

)

const

References m_tag.

Referenced by saveRestartData().

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double CRotThermBondedInteraction::getTwistPotentialEnergy

(

)

const

References m_kt, and m_tMoment.

Referenced by getScalarFieldFunction().

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static string CRotThermBondedInteraction::getType ( )

inlinestatic

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

virtual

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

virtual

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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void CRotThermBondedInteraction::setTag

(

int

tag

)

References m_tag.

Referenced by loadRestartData().

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Friends And Related Function Documentation

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

friend

friend class TML_PackedMessageInterface

friend

Member Data Documentation

double CRotThermBondedInteraction::m_bMoment

private

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

Vec3 CRotThermBondedInteraction::m_cpos

private

Referenced by calcForces(), and getPos().

double CRotThermBondedInteraction::m_diffusivity

private

Referenced by calcHeatTrans(), CRotThermBondedInteraction(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_dist

private

current distance, cached from last calcForces()

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

Vec3 CRotThermBondedInteraction::m_force

private

current force, cached for E_pot calculation

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

double CRotThermBondedInteraction::m_kb

private

Referenced by calcForces(), CRotThermBondedInteraction(), getBendPotentialEnergy(), getPotentialEnergy(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_kr

private

spring constant

Referenced by calcForces(), CRotThermBondedInteraction(), getNormalPotentialEnergy(), getPotentialEnergy(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_ks

private

Referenced by calcForces(), CRotThermBondedInteraction(), getPotentialEnergy(), getShearPotentialEnergy(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_kt

private

Referenced by calcForces(), CRotThermBondedInteraction(), getPotentialEnergy(), getTwistPotentialEnergy(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_max_bMoment

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_max_nForce

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_max_shForce

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_max_tMoment

private

Referenced by broken(), CRotThermBondedInteraction(), getCriterion(), loadRestartData(), and saveRestartData().

double CRotThermBondedInteraction::m_min_r

private

Referenced by CRotThermBondedInteraction().

Vec3 CRotThermBondedInteraction::m_moment

private

Referenced by calcForces(), and CRotThermBondedInteraction().

double CRotThermBondedInteraction::m_nForce

private

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

double CRotThermBondedInteraction::m_shForce

private

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

int CRotThermBondedInteraction::m_tag

private

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

double CRotThermBondedInteraction::m_tMoment

private

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

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

• Model/RotThermBondedInteraction.h
• Model/RotThermBondedInteraction.cpp