glotzmc::BinaryMixtureInteraction Class Reference

#include <BinaryMixtureInteraction.h>

Inheritance diagram for glotzmc::BinaryMixtureInteraction:

List of all members.

Public Member Functions
	BinaryMixtureInteraction ()
	BinaryMixtureInteraction (Potential *, Potential *, Potential *)
	~BinaryMixtureInteraction ()
BinaryMixtureInteraction *	Clone ()
void	SetPotential (int, Potential *)
void	ComputePotential (const McBead &, const McBead &, const double &, double &)
void	ComputePotential (const McBead &, const McPatchyBead &, const double &, double &)
void	ComputePotential (const McPatchyBead &, const McBead &, const double &, double &)
void	ComputePotential (const McPatchyBead &, const McPatchyBead &, const Vector< double, 3 > &, const double &, double &)
void	ComputeUndoPotential (const McPatchyBead &, const McPatchyBead &, const Vector< double, 3 > &, const double &, double &)
double	GetOverlapCutoffSq (const Bead &, const Bead &)
double	GetCutoffSq (const Bead &, const Bead &)
double	GetCutoffSq (const McPatchyBead &, const McPatchyBead &)
double	GetMaxCutoff ()
void	ScanRestartData (std::istream &)
void	PrintRestartData (std::ostream &)
	BinaryMixtureInteraction ()
	BinaryMixtureInteraction (Potential *, Potential *, Potential *)
	~BinaryMixtureInteraction ()
BinaryMixtureInteraction *	Clone ()
void	SetPotential (int, Potential *)
void	ComputeForce (MdBead &, MdBead &, gfloat &, gvector &)
void	ComputeShiftedForce (MdBead &, MdBead &, gfloat &, gvector &)
void	ComputePotential (const McBead &, const McBead &, const gfloat &, gfloat &)
void	ComputePotential (const McBead &, const McPatchyBead &, const gfloat &, gfloat &)
void	ComputePotential (const McPatchyBead &, const McBead &, const gfloat &, gfloat &)
void	ComputePotential (const McPatchyBead &, const McPatchyBead &, const gvector &, const gfloat &, gfloat &)
void	ComputeUndoPotential (const McPatchyBead &, const McPatchyBead &, const gvector &, const gfloat &, gfloat &)
gfloat	GetOverlapCutoffSq (const Bead &, const Bead &)
gfloat	GetCutoffSq (const Bead &, const Bead &)
gfloat	GetCutoffSq (const McPatchyBead &, const McPatchyBead &)
gfloat	GetMaxCutoff ()
void	ScanRestartData (std::istream &)
void	PrintRestartData (std::ostream &)
Protected Types
enum	{ AA = (type::A | type::A), BB = (type::B | type::B), AB = (type::A | type::B) }
enum	{ AA = (type::A | type::A), BB = (type::B | type::B), AB = (type::A | type::B) }
Protected Attributes
Potential *	mAAPotential
Potential *	mBBPotential
Potential *	mABPotential
double	mAACutoff
double	mAAOverlapCutoffSq
double	mBBCutoff
double	mBBOverlapCutoffSq
double	mABCutoff
double	mABOverlapCutoffSq
double	mMaxCutoff
Vector< double, 3 >	mForce
double	mPotential
double	mVirial
Potential *	mAAPotential
Potential *	mBBPotential
Potential *	mABPotential
gfloat	mAACutoff
gfloat	mAAOverlapCutoffSq
gfloat	mBBCutoff
gfloat	mBBOverlapCutoffSq
gfloat	mABCutoff
gfloat	mABOverlapCutoffSq
gfloat	mMaxCutoff
gvector	mForce
gfloat	mPotential
gfloat	mVirial

---

Member Enumeration Documentation

anonymous enum [protected]

Enumerator:

AA
BB
AB

anonymous enum [protected]

Enumerator:

AA
BB
AB

---

Constructor & Destructor Documentation

glotzmc::BinaryMixtureInteraction::BinaryMixtureInteraction

(

)

glotzmc::BinaryMixtureInteraction::BinaryMixtureInteraction	(	Potential *	aaPotential,
		Potential *	bbPotential,
		Potential *	abPotential
	)

glotzmc::BinaryMixtureInteraction::~BinaryMixtureInteraction

(

)

glotzmc::BinaryMixtureInteraction::BinaryMixtureInteraction

(

)

glotzmc::BinaryMixtureInteraction::BinaryMixtureInteraction	(	Potential *	,
		Potential *	,
		Potential *
	)

glotzmc::BinaryMixtureInteraction::~BinaryMixtureInteraction

(

)

---

Member Function Documentation

BinaryMixtureInteraction * glotzmc::BinaryMixtureInteraction::Clone

(

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::SetPotential	(	int	pair,
		Potential *	potential
	)

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McBead &	beadI,
		const McBead &	beadJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McBead &	beadI,
		const McPatchyBead &	patchyBeadJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McPatchyBead &	patchyBeadI,
		const McBead &	beadJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McPatchyBead &	patchyBeadI,
		const McPatchyBead &	patchyBeadJ,
		const Vector< double, 3 > &	rIJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputeUndoPotential	(	const McPatchyBead &	patchyBeadI,
		const McPatchyBead &	patchyBeadJ,
		const Vector< double, 3 > &	rIJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetOverlapCutoffSq	(	const Bead &	beadI,
		const Bead &	beadJ
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetCutoffSq	(	const Bead &	beadI,
		const Bead &	beadJ
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetCutoffSq	(	const McPatchyBead &	patchyBeadI,
		const McPatchyBead &	patchyBeadJ
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ScanRestartData

(

std::istream &

is

)

[virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::PrintRestartData

(

std::ostream &

os

)

[virtual]

Implements glotzmc::Interaction.

BinaryMixtureInteraction* glotzmc::BinaryMixtureInteraction::Clone

(

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::SetPotential	(	int	,
		Potential *
	)

void glotzmc::BinaryMixtureInteraction::ComputeForce	(	MdBead &	beadI,
		MdBead &	beadJ,
		gfloat &	r2,
		gvector &	rij
	)			[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputeShiftedForce	(	MdBead &	beadI,
		MdBead &	beadJ,
		gfloat &	r2,
		gvector &	rij
	)			[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McBead &	,
		const McBead &	,
		const gfloat &	,
		gfloat &
	)			[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McBead &	,
		const McPatchyBead &	,
		const gfloat &	,
		gfloat &
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McPatchyBead &	,
		const McBead &	,
		const gfloat &	,
		gfloat &
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputePotential	(	const McPatchyBead &	patchyBeadI,
		const McPatchyBead &	patchyBeadJ,
		const gvector &	rIJ,
		const gfloat &	r2,
		gfloat &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ComputeUndoPotential	(	const McPatchyBead &	patchyBeadI,
		const McPatchyBead &	patchyBeadJ,
		const gvector &	rIJ,
		const gfloat &	r2,
		gfloat &	potential
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetOverlapCutoffSq	(	const Bead &	,
		const Bead &
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetCutoffSq	(	const Bead &	,
		const Bead &
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetCutoffSq	(	const McPatchyBead &	,
		const McPatchyBead &
	)			[inline, virtual]

Reimplemented from glotzmc::Interaction.

gfloat glotzmc::BinaryMixtureInteraction::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::ScanRestartData

(

std::istream &

)

[virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::BinaryMixtureInteraction::PrintRestartData

(

std::ostream &

)

[virtual]

Implements glotzmc::Interaction.

---

Member Data Documentation

Potential* glotzmc::BinaryMixtureInteraction::mAAPotential [protected]

Potential* glotzmc::BinaryMixtureInteraction::mBBPotential [protected]

Potential* glotzmc::BinaryMixtureInteraction::mABPotential [protected]

double glotzmc::BinaryMixtureInteraction::mAACutoff [protected]

double glotzmc::BinaryMixtureInteraction::mAAOverlapCutoffSq [protected]

double glotzmc::BinaryMixtureInteraction::mBBCutoff [protected]

double glotzmc::BinaryMixtureInteraction::mBBOverlapCutoffSq [protected]

double glotzmc::BinaryMixtureInteraction::mABCutoff [protected]

double glotzmc::BinaryMixtureInteraction::mABOverlapCutoffSq [protected]

double glotzmc::BinaryMixtureInteraction::mMaxCutoff [protected]

Vector<double, 3> glotzmc::BinaryMixtureInteraction::mForce [protected]

double glotzmc::BinaryMixtureInteraction::mPotential [protected]

double glotzmc::BinaryMixtureInteraction::mVirial [protected]

Potential* glotzmc::BinaryMixtureInteraction::mAAPotential [protected]

Potential* glotzmc::BinaryMixtureInteraction::mBBPotential [protected]

Potential* glotzmc::BinaryMixtureInteraction::mABPotential [protected]

gfloat glotzmc::BinaryMixtureInteraction::mAACutoff [protected]

gfloat glotzmc::BinaryMixtureInteraction::mAAOverlapCutoffSq [protected]

gfloat glotzmc::BinaryMixtureInteraction::mBBCutoff [protected]

gfloat glotzmc::BinaryMixtureInteraction::mBBOverlapCutoffSq [protected]

gfloat glotzmc::BinaryMixtureInteraction::mABCutoff [protected]

gfloat glotzmc::BinaryMixtureInteraction::mABOverlapCutoffSq [protected]

gfloat glotzmc::BinaryMixtureInteraction::mMaxCutoff [protected]

gvector glotzmc::BinaryMixtureInteraction::mForce [protected]

gfloat glotzmc::BinaryMixtureInteraction::mPotential [protected]

gfloat glotzmc::BinaryMixtureInteraction::mVirial [protected]

---

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

• Glotzilla/src/glotzmc/trunk/SourceCode/BinaryMixtureInteraction.h
• Glotzilla/src/glotzmc/trunk/SourceCode/MCBuilder.xcodeproj/BinaryMixtureInteraction.h
• Glotzilla/src/glotzmc/trunk/SourceCode/BinaryMixtureInteraction.cpp

---