src/pull/energy.c File Reference

#include "pull.h"
#include "privatePull.h"

Include dependency graph for energy.c:

Defines
#define	SPRING   "spring"
#define	GAUSS   "gauss"
#define	COTAN   "cotan"
#define	QUARTIC   "quartic"
#define	ZERO   "zero"
#define	_GAUSS(x, sig, cut)
#define	_DGAUSS(x, sig, cut)
Functions
double	_pullEnergyUnknownEval (double *frc, double dist, const double *parm)
double	_pullEnergySpringEval (double *frc, double dist, const double *parm)
double	_pullEnergyGaussEval (double *frc, double dist, const double *parm)
double	_pullEnergyCotanEval (double *frc, double dist, const double *parm)
double	_pullEnergyQuarticEval (double *frc, double dist, const double *parm)
double	_pullEnergyZeroEval (double *frc, double dist, const double *parm)
pullEnergySpec *	pullEnergySpecNew ()
int	pullEnergySpecSet (pullEnergySpec *ensp, const pullEnergy *energy, const double parm[PULL_ENERGY_PARM_NUM])
pullEnergySpec *	pullEnergySpecNix (pullEnergySpec *ensp)
int	pullEnergySpecParse (pullEnergySpec *ensp, const char *_str)
int	_pullHestEnergyParse (void *ptr, char *str, char err[AIR_STRLEN_HUGE])
Variables
char	_pullEnergyTypeStr [PULL_ENERGY_TYPE_MAX+1][AIR_STRLEN_SMALL]
char	_pullEnergyTypeDesc [PULL_ENERGY_TYPE_MAX+1][AIR_STRLEN_MED]
airEnum	_pullEnergyType
airEnum *	pullEnergyType = &_pullEnergyType
pullEnergy	_pullEnergyUnknown
const pullEnergy *const	pullEnergyUnknown = &_pullEnergyUnknown
const pullEnergy	_pullEnergySpring
const pullEnergy *const	pullEnergySpring = &_pullEnergySpring
const pullEnergy	_pullEnergyGauss
const pullEnergy *const	pullEnergyGauss = &_pullEnergyGauss
const pullEnergy	_pullEnergyCotan
const pullEnergy *const	pullEnergyCotan = &_pullEnergyCotan
const pullEnergy	_pullEnergyQuartic
const pullEnergy *const	pullEnergyQuartic = &_pullEnergyQuartic
const pullEnergy	_pullEnergyZero
const pullEnergy *const	pullEnergyZero = &_pullEnergyZero
const pullEnergy *const	pullEnergyAll [PULL_ENERGY_TYPE_MAX+1]
hestCB	_pullHestEnergySpec
hestCB *	pullHestEnergySpec = &_pullHestEnergySpec

---

Define Documentation

#define _DGAUSS	(	x,
		sig,
		cut		)

Value:

( \
   x >= sig*cut ? 0            \
   : -exp(-x*x/(2.0*sig*sig))*x/(sig*sig*sig*2.50662827463100050241))

#define _GAUSS	(	x,
		sig,
		cut		)

Value:

( \
   x >= sig*cut ? 0           \
   : exp(-x*x/(2.0*sig*sig))/(sig*2.50662827463100050241))

#define COTAN   "cotan"

#define GAUSS   "gauss"

#define QUARTIC   "quartic"

#define SPRING   "spring"

#define ZERO   "zero"

---

Function Documentation

double _pullEnergyCotanEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

double _pullEnergyGaussEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

double _pullEnergyQuarticEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

double _pullEnergySpringEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

double _pullEnergyUnknownEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

double _pullEnergyZeroEval	(	double *	frc,
		double	dist,
		const double *	parm
	)

int _pullHestEnergyParse	(	void *	ptr,
		char *	str,
		char	err[AIR_STRLEN_HUGE]
	)

pullEnergySpec* pullEnergySpecNew

(

)

pullEnergySpec* pullEnergySpecNix

(

pullEnergySpec *

ensp

)

int pullEnergySpecParse	(	pullEnergySpec *	ensp,
		const char *	_str
	)

int pullEnergySpecSet	(	pullEnergySpec *	ensp,
		const pullEnergy *	energy,
		const double	parm[PULL_ENERGY_PARM_NUM]
	)

---

Variable Documentation

const pullEnergy _pullEnergyCotan

Initial value:

 {
  COTAN,
  0,
  _pullEnergyCotanEval
}

const pullEnergy _pullEnergyGauss

Initial value:

 {
  GAUSS,
  0,
  _pullEnergyGaussEval
}

const pullEnergy _pullEnergyQuartic

Initial value:

 {
  QUARTIC,
  0,
  _pullEnergyQuarticEval
}

const pullEnergy _pullEnergySpring

Initial value:

 {
  SPRING,
  1,
  _pullEnergySpringEval
}

airEnum _pullEnergyType

Initial value:

 {
  "energy",
  PULL_ENERGY_TYPE_MAX,
  _pullEnergyTypeStr,  NULL,
  _pullEnergyTypeDesc,
  NULL, NULL,
  AIR_FALSE
}

char _pullEnergyTypeDesc[PULL_ENERGY_TYPE_MAX+1][AIR_STRLEN_MED]

Initial value:

 {
  "unknown_energy",
  "Hooke's law-based potential, with a tunable region of attraction",
  "Gaussian potential",
  "Cotangent-based potential (from Meyer et al. SMI '05)",
  "Quartic thing",
  "no energy"
}

char _pullEnergyTypeStr[PULL_ENERGY_TYPE_MAX+1][AIR_STRLEN_SMALL]

Initial value:

 {
  "(unknown_energy)",
  SPRING,
  GAUSS,
  COTAN,
  QUARTIC,
  ZERO
}

pullEnergy _pullEnergyUnknown

Initial value:

 {
  "unknown",
  0,
  _pullEnergyUnknownEval
}

const pullEnergy _pullEnergyZero

Initial value:

 {
  ZERO,
  0,
  _pullEnergyZeroEval
}

hestCB _pullHestEnergySpec

Initial value:

 {
  sizeof(pullEnergySpec*),
  "energy specification",
  _pullHestEnergyParse,
  (airMopper)pullEnergySpecNix
}

const pullEnergy* const pullEnergyAll[PULL_ENERGY_TYPE_MAX+1]

Initial value:

 {
  &_pullEnergyUnknown,  
  &_pullEnergySpring,   
  &_pullEnergyGauss,    
  &_pullEnergyCotan,    
  &_pullEnergyQuartic,  
  &_pullEnergyZero      
}

const pullEnergy* const pullEnergyCotan = &_pullEnergyCotan

const pullEnergy* const pullEnergyGauss = &_pullEnergyGauss

const pullEnergy* const pullEnergyQuartic = &_pullEnergyQuartic

const pullEnergy* const pullEnergySpring = &_pullEnergySpring

airEnum* pullEnergyType = &_pullEnergyType

const pullEnergy* const pullEnergyUnknown = &_pullEnergyUnknown

const pullEnergy* const pullEnergyZero = &_pullEnergyZero

hestCB* pullHestEnergySpec = &_pullHestEnergySpec