smilepot.h File Reference

provides simplified C interface to smile::CPotential class More...

Typedefs
typedef struct smilePotential	smilePotential

Functions
const smilePotential *	smilepot_create (const char *filename)
	create a potential from parameters provided in an ini file, or from a potential coefs file. More...
const smilePotential *	smilepot_create_params (const int numParams, const char *const params[])
	create a potential from parameters provided as a list of "key=value" strings (as if supplied via command-line arguments). More...
const smilePotential *	smilepot_create_from_particles (const int numParams, const char *const params[], const int numPoints, const double x[], const double y[], const double z[], const double mass[])
	create a potential of a generic expansion type from a set of particles. More...
void	smilepot_delete (const smilePotential *pot)
	delete the potential using its appropriate destructor
const smilePotential *	smilepot_copy (const smilePotential *pot)
	make a deep copy of the potential using CPotential::clone
const char *	smilepot_name (const smilePotential *pot)
	return the SMILE name of the potential, or empty string if the input is NULL
double	smilepot_density (const smilePotential *pot, const double xyz[3])
	return the density at a given location
double	smilepot_potential (const smilePotential *pot, const double xyz[3])
	return the potential at a given location
void	smilepot_force (const smilePotential *pot, const double xyz[3], double force[])
	return forces at a given location xyz in an output array that must be of length 3
void	smilepot_force_deriv (const smilePotential *pot, const double xyz[3], double force[], double forceDeriv[])
	return forces and force derivatives at a given location xyz in an output array force (of length 3) and forceDeriv (of length 6); the latter one contains dFx/dx, dFy/dy, dFz/dz, dFx/dy, dFy/dz, dFz/dx
int	smilepot_export (const smilePotential *pot, const char *filename)
	export potential expansion coefficients to a text file; returns 0 if the potential is not of an expansion type, or file could not be created, otherwise 1

Detailed Description

provides simplified C interface to smile::CPotential class

Date

2014-12-04

Author

EV

This file defines a simplified C interface to SMILE potential machinery. It is built around several functions that operate on pointers to smilePotential struct (which is itself a mere typedef to smile::CPotential, so C++ programs may make use of all other features of smile::CPotential class and associated routines).

A potential is created from a set of parameters provided in a text file *.ini, or from a text file with potential coefficients (BSE, BSECompact, Spline, CylSpline, or Spherical model given by a mass profile as a function of radius), or from a list of parameters given as "name=value" strings, or from a set of point masses.

Several other functions return the values of density, potential and forces at a given location, using the pointer to a previously created potential object. If the creation failed, NULL pointer is passed around without doing any harm.

Function Documentation

const smilePotential* smilepot_create

(

const char *

filename

)

create a potential from parameters provided in an ini file, or from a potential coefs file.

Parameters

[in]

filename

determines the action; depending on the extension different types of potential coefficients will be attempted to load: .coef_bse will attempt to create a BSE potential, *.coef_bsec – BSECompact, .coef_spl – Spline, *.coef_cyl – CylSpline, *.mass – Spherical Otherwise the file is assumed to be an INI file.

Returns

an instance of smilePotential, or NULL if the file does not exist or its format is incorrect.

const smilePotential* smilepot_create_from_particles	(	const int	numParams,
		const char *const	params[],
		const int	numPoints,
		const double	x[],
		const double	y[],
		const double	z[],
		const double	mass[]
	)

create a potential of a generic expansion type from a set of particles.

Parameters

[in]	numParams	determines the size of parameter list
[in]	params	is the array of strings; one of these parameters must be "type=..." defining the potential type, which should be one of the general-purpose potential approximations: "BSE", "BSECompact", "Spline", "CylSpline", "Spherical", "Nbody" (the latter uses a tree-code solver).
[in]	numPoints	is the size of particle list
[in]	x	param[in] y,
[in]	z	are the coordinates of particles and
[in]	mass	are particle masses.

Returns

an instance of smilePotential, or NULL in case of incorrect or insufficient parameters.

const smilePotential* smilepot_create_params	(	const int	numParams,
		const char *const	params[]
	)

create a potential from parameters provided as a list of "key=value" strings (as if supplied via command-line arguments).

Parameters

[in]	numParams	determines the size of parameter list
[in]	params	is the array of strings; one of these parameters must be "type=..." defining the potential type.

Returns

an instance of smilePotential, or NULL in case of incorrect or insufficient parameters.