R/Kpcoeff.R

Defines functions Kpcoeff

Documented in Kpcoeff

Kpcoeff <- function(logP, pKa, fup, BP, type = 3, pred = "P&T", dat) {
  if (pred == "P&T") {
    pcoeff <- Kpcoeff_PT(logP = logP, pKa = pKa, fup = fup, BP = BP, type = type)
  } else if (pred == "Berez") { 
    pcoeff <- Kpcoeff_Berez(logP = logP, pKa = pKa, fup = fup, BP = BP, type = type)
  } else if (pred == "Schmitt") { 
    pcoeff <- Kpcoeff_Schmitt(logP = logP, pKa = pKa, fup = fup, type = type)
  } else {
    pcoeff <- Kpcoeff_RR(logP = logP, pKa = pKa, fup = fup, BP = BP, type = type)
  }
  
  return(pcoeff)
}
sueinchoi/KpCoeff documentation built on Dec. 5, 2023, 5:29 a.m.