#ifdef __cplusplus extern "C" { #endif #ifndef embiep_h #define embiep_h #define EMBIEPSIZE 28 /* Usual alpha plus two array */ #define EMBIEPCYSTEINE 2 /* Array index for C */ #define EMBIEPLYSINE 10 /* Array index for K */ #define EMBIEPAMINO 26 /* Amino terminus array index */ #define EMBIEPCARBOXYL 27 /* Carboxyl terminus array index */ /* ** Prototype definitions */ void embIepCalcK (double *K, double *pK); double *embIeppKNew (void); void embIeppKDel (double *pK); void embIepCompC (const char *s, ajint amino, ajint carboxyl, ajint sscount, ajint modlysine, ajint *c); void embIepCompS (const AjPStr str, ajint amino, ajint carboxyl, ajint sscount, ajint modlysine, ajint *c); double embIepGetCharge (const ajint *c, const double *pro, double *total); void embIepGetProto (const double *K, const ajint *c, ajint *op, double H, double *pro); AjBool embIepIepC (const char *s, ajint amino, ajint carboxyl, ajint sscount, ajint modlysine, double *pK, double *iep, AjBool termini); AjBool embIepIepS (const AjPStr str, ajint amino, ajint carboxyl, ajint sscount, ajint modlysine, double *pK, double *iep, AjBool termini); double embIepPhFromHconc (double H); double embIepPhToHconc (double pH); double embIepPhConverge (const ajint *c, const double *K, ajint *op, double *pro); void embIepPkRead (double *pK); double embIepPkToK (double pK); double embIepPkFromK (double K); __deprecated void embIepComp (const char *s, ajint amino, ajint carboxyl, ajint *c); __deprecated AjBool embIepIEP (const char *s, ajint amino, ajint carboxyl, double *pK, double *iep, AjBool termini); /* ** End of prototype definitions */ #endif #ifdef __cplusplus } #endif