Inheritance diagram for TissueForge::py::PotentialPy:

Collaboration diagram for TissueForge::py::PotentialPy:

[legend]

Static Public Member Functions
static Potential *	customPy (FloatP_t min, FloatP_t max, PyObject f, PyObject fp=Py_None, PyObject f6p=Py_None, FloatP_t tol=NULL, uint32_t *flags=NULL)
	Creates a custom potential.

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.

Additional Inherited Members
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)

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

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 ()

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

◆ customPy()

static Potential * TissueForge::py::PotentialPy::customPy	(	FloatP_t	min,
		FloatP_t	max,
		PyObject *	f,
		PyObject *	fp = Py_None,
		PyObject *	f6p = Py_None,
		FloatP_t *	tol = NULL,
		uint32_t *	flags = NULL )

static

Creates a custom potential.

Parameters

min	The smallest radius for which the potential will be constructed.
max	The largest radius for which the potential will be constructed.
f	function returning the value of the potential
fp	function returning the value of first derivative of the potential
f6p	function returning the value of sixth derivative of the potential
tol	Tolerance, defaults to 0.001.

Returns: Potential*

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

source/langs/py/tfPotentialPy.h

Static Public Member Functions

Additional Inherited Members

Member Function Documentation

◆ customPy()