CShortBondedInteraction Class Reference

class for a "short" bonded interaction More...

#include <ShortBondedInteraction.h>

Inheritance diagram for CShortBondedInteraction:

Collaboration diagram for CShortBondedInteraction:

Public Types
typedef CBondedIGP	ParameterType
typedef ShortBondedInteractionCpData	CheckPointable
typedef double(CShortBondedInteraction::*	ScalarFieldFunction) () const
typedef pair< bool, double >(CShortBondedInteraction::*	CheckedScalarFieldFunction) () const
typedef Vec3(CShortBondedInteraction::*	VectorFieldFunction) () const
Public Types inherited from CBondedInteraction
typedef CBondedIGP	ParameterType
typedef BondedInteractionCpData	CheckPointable
typedef double(CBondedInteraction::*	ScalarFieldFunction) () const
typedef pair< bool, double >(CBondedInteraction::*	CheckedScalarFieldFunction) () const
typedef Vec3(CBondedInteraction::*	VectorFieldFunction) () const

Public Member Functions
	CShortBondedInteraction ()
	CShortBondedInteraction (CParticle *, CParticle *, const CBondedIGP &)
virtual	~CShortBondedInteraction ()
double	getEquiDist () const
void	saveCheckPointData (std::ostream &oStream)
void	loadCheckPointData (std::istream &iStream)
Public Member Functions inherited from CBondedInteraction
	CBondedInteraction ()
	CBondedInteraction (CParticle *particle1, CParticle *particle2, const CBondedIGP &params)
virtual	~CBondedInteraction ()
virtual void	calcForces ()
void	setBreak (double)
bool	broken ()
int	getTag () const
void	setTag (int tag)
double	getCriterion () const
double	getPotentialEnergy () const
double	getStrain () const
Vec3	getForce () const
virtual Vec3	getPos () const
virtual void	saveRestartData (std::ostream &oStream)
virtual void	loadRestartData (std::istream &iStream)
Public Member Functions inherited from APairInteraction
	APairInteraction ()
	APairInteraction (CParticle *, CParticle *)
virtual	~APairInteraction ()
const CParticle *	first () const
const CParticle *	second () const
CParticle *	first ()
CParticle *	second ()
pair< int, int >	getPairID () const
void	setPP (CParticle *, CParticle *)
void	checkIDs ()
virtual bool	hasTag (int, int) const
virtual Vec3	getPosFirst () const
virtual Vec3	getPosSecond () const
esys::lsm::quintuple< Vec3, double, Vec3, double, Vec3 >	getRaw2Data () const
template<class TmplParticle >
void	setPP (const vector< TmplParticle * > &pp)
Public Member Functions inherited from AInteraction
	AInteraction ()
virtual	~AInteraction ()
bool	initialized () const
virtual void	calcHeatTrans ()
virtual void	calcHeatFrict ()
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 ()
Static Public Member Functions inherited from CBondedInteraction
static ScalarFieldFunction	getScalarFieldFunction (const string &)
static CheckedScalarFieldFunction	getCheckedScalarFieldFunction (const string &)
static VectorFieldFunction	getVectorFieldFunction (const string &)
static string	getType ()

Friends
class	TML_PackedMessageInterface
ostream &	operator<< (ostream &, const CBondedInteraction &)

Additional Inherited Members
Protected Member Functions inherited from CBondedInteraction
	CBondedInteraction (CParticle *, CParticle *)
Protected Attributes inherited from CBondedInteraction
double	m_k
	spring constant More...
double	m_r0
	equilibrium distance More...
double	m_dist
	current distance, cached from last calcForces() More...
double	m_break
	breaking distance More...
Vec3	m_force
	current force, cached for E_pot calculation More...
Vec3	m_cpos
int	m_tag
	Interaction tag;. More...
bool	m_scaling
	scaling k with particle radius More...
Protected Attributes inherited from APairInteraction
CParticle *	m_p1
CParticle *	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

class for a "short" bonded interaction

A bonded interaction where the equilibrium distance is not determined by the radii of the particles but by the initial distance, i.e. it allows for overlapping particles. Uses the same parameter class as "normal" bonded interactions

Member Typedef Documentation

CheckedScalarFieldFunction

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

CheckPointable

typedef ShortBondedInteractionCpData CShortBondedInteraction::CheckPointable

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

ParameterType

typedef CBondedIGP CShortBondedInteraction::ParameterType

ScalarFieldFunction

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

VectorFieldFunction

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

Constructor & Destructor Documentation

CShortBondedInteraction() [1/2]

CShortBondedInteraction::CShortBondedInteraction

(

)

CShortBondedInteraction() [2/2]

CShortBondedInteraction::CShortBondedInteraction	(	CParticle *	p1,
		CParticle *	p2,
		const CBondedIGP &	param
	)

Construct valid short bonded interaction. The equilibrium distance is calculated from the initial distance of the two particles.

Parameters

p1	pointer to 1st particle
p2	pointer to 2nd particles
param	the interaction parameters

References CBasicParticle::getPos(), CBondedIGP::k, CBondedInteraction::m_break, CBondedInteraction::m_dist, CBondedInteraction::m_force, CBondedInteraction::m_k, CBondedInteraction::m_r0, CBondedInteraction::m_tag, CBondedIGP::rbreak, and CBondedIGP::tag.

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~CShortBondedInteraction()

CShortBondedInteraction::~CShortBondedInteraction ( )

virtual

Member Function Documentation

getCheckedScalarFieldFunction()

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

static

References NULL.

getEquiDist()

double CShortBondedInteraction::getEquiDist ( ) const

inline

References CBondedInteraction::m_r0.

Referenced by ShortBondedInteractionCpData::ShortBondedInteractionCpData().

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getScalarFieldFunction()

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

static

References AInteraction::Count(), CBondedInteraction::getPotentialEnergy(), CBondedInteraction::getStrain(), and NULL.

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getType()

static string CShortBondedInteraction::getType ( )

inlinestatic

getVectorFieldFunction()

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

static

References CBondedInteraction::getForce(), and NULL.

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loadCheckPointData()

void CShortBondedInteraction::loadCheckPointData

(

std::istream &

iStream

)

saveCheckPointData()

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

virtual

Save snapshot data (non-restartable, viz/postprocessing only) to an output stream.

Parameters

oStream

the output stream

Reimplemented from CBondedInteraction.

References ShortBondedInteractionCpData::saveCheckPointData().

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Friends And Related Function Documentation

operator<<

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

friend

TML_PackedMessageInterface

friend class TML_PackedMessageInterface

friend

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

• Model/ShortBondedInteraction.h
• Model/ShortBondedInteraction.cpp