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)
pullEnergySpecpullEnergySpecNew ()
int pullEnergySpecSet (pullEnergySpec *ensp, const pullEnergy *energy, const double parm[PULL_ENERGY_PARM_NUM])
pullEnergySpecpullEnergySpecNix (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
airEnumpullEnergyType = &_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
hestCBpullHestEnergySpec = &_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

Initial value:

Initial value:

Initial value:

Initial value:

Initial value:

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
}

Initial value:

 {
  "unknown",
  0,
  _pullEnergyUnknownEval
}

Initial value:

Initial value:

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

const pullEnergy* const pullEnergyAll[PULL_ENERGY_TYPE_MAX+1]


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