src/push/forces.c File Reference

#include "push.h"
#include "privatePush.h"

Include dependency graph for forces.c:

Defines
#define	SPRING   "spring"
#define	GAUSS   "gauss"
#define	COULOMB   "coulomb"
#define	COTAN   "cotan"
#define	ZERO   "zero"
#define	_GAUSS(x, sig, cut)
#define	_DGAUSS(x, sig, cut)
Functions
void	_pushEnergyUnknownEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergyUnknownSupport (const double *parm)
void	_pushEnergySpringEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergySpringSupport (const double *parm)
void	_pushEnergyGaussEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergyGaussSupport (const double *parm)
void	_pushEnergyCoulombEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergyCoulombSupport (const double *parm)
void	_pushEnergyCotanEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergyCotanSupport (const double *parm)
void	_pushEnergyZeroEval (double *enr, double *frc, double dist, const double *parm)
double	_pushEnergyZeroSupport (const double *parm)
pushEnergySpec *	pushEnergySpecNew ()
void	pushEnergySpecSet (pushEnergySpec *ensp, const pushEnergy *energy, const double parm[PUSH_ENERGY_PARM_NUM])
pushEnergySpec *	pushEnergySpecNix (pushEnergySpec *ensp)
int	pushEnergySpecParse (pushEnergySpec *ensp, const char *_str)
int	_pushHestEnergyParse (void *ptr, char *str, char err[AIR_STRLEN_HUGE])
Variables
char	_pushEnergyTypeStr [PUSH_ENERGY_TYPE_MAX+1][AIR_STRLEN_SMALL]
char	_pushEnergyTypeDesc [PUSH_ENERGY_TYPE_MAX+1][AIR_STRLEN_MED]
airEnum	_pushEnergyType
airEnum *	pushEnergyType = &_pushEnergyType
pushEnergy	_pushEnergyUnknown
const pushEnergy *const	pushEnergyUnknown = &_pushEnergyUnknown
const pushEnergy	_pushEnergySpring
const pushEnergy *const	pushEnergySpring = &_pushEnergySpring
const pushEnergy	_pushEnergyGauss
const pushEnergy *const	pushEnergyGauss = &_pushEnergyGauss
const pushEnergy	_pushEnergyCoulomb
const pushEnergy *const	pushEnergyCoulomb = &_pushEnergyCoulomb
const pushEnergy	_pushEnergyCotan
const pushEnergy *const	pushEnergyCotan = &_pushEnergyCotan
const pushEnergy	_pushEnergyZero
const pushEnergy *const	pushEnergyZero = &_pushEnergyZero
const pushEnergy *const	pushEnergyAll [PUSH_ENERGY_TYPE_MAX+1]
hestCB	_pushHestEnergySpec
hestCB *	pushHestEnergySpec = &_pushHestEnergySpec

---

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 COULOMB   "coulomb"

#define GAUSS   "gauss"

#define SPRING   "spring"

#define ZERO   "zero"

---

Function Documentation

void _pushEnergyCotanEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergyCotanSupport

(

const double *

parm

)

void _pushEnergyCoulombEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergyCoulombSupport

(

const double *

parm

)

void _pushEnergyGaussEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergyGaussSupport

(

const double *

parm

)

void _pushEnergySpringEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergySpringSupport

(

const double *

parm

)

void _pushEnergyUnknownEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergyUnknownSupport

(

const double *

parm

)

void _pushEnergyZeroEval	(	double *	enr,
		double *	frc,
		double	dist,
		const double *	parm
	)

double _pushEnergyZeroSupport

(

const double *

parm

)

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

pushEnergySpec* pushEnergySpecNew

(

)

pushEnergySpec* pushEnergySpecNix

(

pushEnergySpec *

ensp

)

int pushEnergySpecParse	(	pushEnergySpec *	ensp,
		const char *	_str
	)

void pushEnergySpecSet	(	pushEnergySpec *	ensp,
		const pushEnergy *	energy,
		const double	parm[PUSH_ENERGY_PARM_NUM]
	)

---

Variable Documentation

const pushEnergy _pushEnergyCotan

Initial value:

 {
  COTAN,
  0,
  _pushEnergyCotanEval,
  _pushEnergyCotanSupport
}

const pushEnergy _pushEnergyCoulomb

Initial value:

 {
  COULOMB,
  1,
  _pushEnergyCoulombEval,
  _pushEnergyCoulombSupport
}

const pushEnergy _pushEnergyGauss

Initial value:

 {
  GAUSS,
  1,
  _pushEnergyGaussEval,
  _pushEnergyGaussSupport
}

const pushEnergy _pushEnergySpring

Initial value:

 {
  SPRING,
  1,
  _pushEnergySpringEval,
  _pushEnergySpringSupport
}

airEnum _pushEnergyType

Initial value:

 {
  "energy",
  PUSH_ENERGY_TYPE_MAX,
  _pushEnergyTypeStr,  NULL,
  _pushEnergyTypeDesc,
  NULL, NULL,
  AIR_FALSE
}

char _pushEnergyTypeDesc[PUSH_ENERGY_TYPE_MAX+1][AIR_STRLEN_MED]

Initial value:

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

char _pushEnergyTypeStr[PUSH_ENERGY_TYPE_MAX+1][AIR_STRLEN_SMALL]

Initial value:

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

pushEnergy _pushEnergyUnknown

Initial value:

 {
  "unknown",
  0,
  _pushEnergyUnknownEval,
  _pushEnergyUnknownSupport
}

const pushEnergy _pushEnergyZero

Initial value:

 {
  ZERO,
  0,
  _pushEnergyZeroEval,
  _pushEnergyZeroSupport
}

hestCB _pushHestEnergySpec

Initial value:

 {
  sizeof(pushEnergySpec*),
  "energy specification",
  _pushHestEnergyParse,
  (airMopper)pushEnergySpecNix
}

const pushEnergy* const pushEnergyAll[PUSH_ENERGY_TYPE_MAX+1]

Initial value:

 {
  &_pushEnergyUnknown,  
  &_pushEnergySpring,   
  &_pushEnergyGauss,    
  &_pushEnergyCoulomb,  
  &_pushEnergyCotan,    
  &_pushEnergyZero      
}

const pushEnergy* const pushEnergyCotan = &_pushEnergyCotan

const pushEnergy* const pushEnergyCoulomb = &_pushEnergyCoulomb

const pushEnergy* const pushEnergyGauss = &_pushEnergyGauss

const pushEnergy* const pushEnergySpring = &_pushEnergySpring

airEnum* pushEnergyType = &_pushEnergyType

const pushEnergy* const pushEnergyUnknown = &_pushEnergyUnknown

const pushEnergy* const pushEnergyZero = &_pushEnergyZero

hestCB* pushHestEnergySpec = &_pushHestEnergySpec