Inheritance diagram for TissueForge::DPDPotential:

Collaboration diagram for TissueForge::DPDPotential:

[legend]

Public Member Functions
	DPDPotential (FPTYPE alpha, FPTYPE gamma, FPTYPE sigma, FPTYPE cutoff, bool shifted)

std::string	toString ()
	Get a JSON string representation.

Public Member Functions inherited from TissueForge::Potential
FPTYPE	operator() (const FPTYPE &r, const FPTYPE &r0=-1.0)

FPTYPE	operator() (const std::vector< FPTYPE > &r)

FPTYPE	operator() (struct ParticleHandle *pi, const FVector3 &pt)

FPTYPE	operator() (struct ParticleHandle pi, struct ParticleHandle pj)

FPTYPE	operator() (struct ParticleHandle pi, struct ParticleHandle pj, struct ParticleHandle *pk)

FPTYPE	operator() (struct ParticleHandle pi, struct ParticleHandle pj, struct ParticleHandle pk, struct ParticleHandle pl)

FPTYPE	force (FPTYPE r, FPTYPE ri=-1.0, FPTYPE rj=-1.0)

std::vector< FPTYPE >	force (const std::vector< FPTYPE > &r)

std::vector< FPTYPE >	force (struct ParticleHandle *pi, const FVector3 &pt)

std::vector< FPTYPE >	force (struct ParticleHandle pi, struct ParticleHandle pj)

std::pair< std::vector< FPTYPE >, std::vector< FPTYPE > >	force (struct ParticleHandle pi, struct ParticleHandle pj, struct ParticleHandle *pk)

std::pair< std::vector< FPTYPE >, std::vector< FPTYPE > >	force (struct ParticleHandle pi, struct ParticleHandle pj, struct ParticleHandle pk, struct ParticleHandle pl)

std::vector< Potential * >	constituents ()

Potential &	operator+ (const Potential &rhs)

FPTYPE	getMin ()

FPTYPE	getMax ()

FPTYPE	getCutoff ()

std::pair< FPTYPE, FPTYPE >	getDomain ()

int	getIntervals ()

bool	getBound ()

void	setBound (const bool &_bound)

FPTYPE	getR0 ()

void	setR0 (const FPTYPE &_r0)

bool	getShifted ()

bool	getPeriodic ()

bool	getRSquare ()

Static Public Member Functions
static DPDPotential *	fromPot (Potential *pot)
	Convert basic potential to DPD.

static DPDPotential *	fromString (const std::string &str)
	Create from a JSON string representation.

Static Public Member Functions inherited from TissueForge::Potential
static Potential *	fromString (const std::string &str)
	Create from a JSON string representation.

static Potential *	lennard_jones_12_6 (FPTYPE min, FPTYPE max, FPTYPE A, FPTYPE B, FPTYPE *tol=NULL)
	Creates a 12-6 Lennard-Jones potential.

static Potential *	lennard_jones_12_6_coulomb (FPTYPE min, FPTYPE max, FPTYPE A, FPTYPE B, FPTYPE q, FPTYPE *tol=NULL)
	Creates a potential of the sum of a 12-6 Lennard-Jones potential and a shifted Coulomb potential.

static Potential *	ewald (FPTYPE min, FPTYPE max, FPTYPE q, FPTYPE kappa, FPTYPE tol=NULL, unsigned int periodicOrder=NULL)
	Creates a real-space Ewald potential.

static Potential *	coulomb (FPTYPE q, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE tol=NULL, unsigned int periodicOrder=NULL)
	Creates a Coulomb potential.

static Potential *	coulombR (FPTYPE q, FPTYPE kappa, FPTYPE min, FPTYPE max, unsigned int *modes=NULL)
	Creates a Coulomb reciprocal potential.

static Potential *	harmonic (FPTYPE k, FPTYPE r0, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates a harmonic bond potential.

static Potential *	linear (FPTYPE k, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates a linear potential.

static Potential *	harmonic_angle (FPTYPE k, FPTYPE theta0, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates a harmonic angle potential.

static Potential *	harmonic_dihedral (FPTYPE k, FPTYPE delta, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates a harmonic dihedral potential.

static Potential *	cosine_dihedral (FPTYPE k, int n, FPTYPE delta, FPTYPE *tol=NULL)
	Creates a cosine dihedral potential.

static Potential *	well (FPTYPE k, FPTYPE n, FPTYPE r0, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates a well potential.

static Potential *	glj (FPTYPE e, FPTYPE m=NULL, FPTYPE n=NULL, FPTYPE k=NULL, FPTYPE r0=NULL, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE tol=NULL, bool shifted=NULL)
	Creates a generalized Lennard-Jones potential.

static Potential *	morse (FPTYPE d=NULL, FPTYPE a=NULL, FPTYPE r0=NULL, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE tol=NULL, bool *shifted=NULL)
	Creates a Morse potential.

static Potential *	overlapping_sphere (FPTYPE mu=NULL, FPTYPE kc=NULL, FPTYPE kh=NULL, FPTYPE r0=NULL, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE *tol=NULL)
	Creates an overlapping-sphere potential from :cite:`Osborne:2017hk`.

static Potential *	power (FPTYPE k=NULL, FPTYPE r0=NULL, FPTYPE alpha=NULL, FPTYPE min=NULL, FPTYPE max=NULL, FPTYPE tol=NULL)
	Creates a power potential.

static Potential *	dpd (FPTYPE alpha=NULL, FPTYPE gamma=NULL, FPTYPE sigma=NULL, FPTYPE cutoff=NULL, bool *shifted=NULL)
	Creates a Dissipative Particle Dynamics potential.

static Potential *	custom (FPTYPE min, FPTYPE max, FPTYPE(f)(FPTYPE), FPTYPE(fp)(FPTYPE), FPTYPE(f6p)(FPTYPE), FPTYPE tol=NULL, uint32_t *flags=NULL)
	Creates a custom potential.

Public Attributes
FPTYPE	alpha

FPTYPE	gamma

FPTYPE	sigma

Public Attributes inherited from TissueForge::Potential
uint32_t	kind

uint32_t	flags

FPTYPE	alpha [4]

FPTYPE *	c

FPTYPE	r0_plusone

FPTYPE	a

FPTYPE	b

FPTYPE	mu

FPTYPE	offset [3]

int	n

PotentialCreate	create_func

PotentialClear	clear_func

PotentialEval_ByParticle	eval_bypart

PotentialEval_ByParticles	eval_byparts

PotentialEval_ByParticles3	eval_byparts3

PotentialEval_ByParticles4	eval_byparts4

Potential *	pca

Potential *	pcb

const char *	name

Member Function Documentation

◆ fromPot()

static DPDPotential * TissueForge::DPDPotential::fromPot ( Potential * pot )

static

Convert basic potential to DPD.

If the basic potential is not DPD, then NULL is returned.

Parameters

pot

Returns: DPDPotential*

◆ fromString()

static DPDPotential * TissueForge::DPDPotential::fromString ( const std::string & str )

static

Create from a JSON string representation.

Parameters

str

Returns: Potential*

◆ toString()

std::string TissueForge::DPDPotential::toString ( )

virtual

Get a JSON string representation.

Returns: std::string

Reimplemented from TissueForge::Potential.

Member Data Documentation

◆ alpha

FPTYPE TissueForge::DPDPotential::alpha

strength of conserative interaction

◆ gamma

FPTYPE TissueForge::DPDPotential::gamma

strength of dissapative interaction

◆ sigma

FPTYPE TissueForge::DPDPotential::sigma

strength of random interaction

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

source/mdcore/include/tfDPDPotential.h

Public Member Functions

Static Public Member Functions

Public Attributes