Energy.hs

-- | Different types of energies and conversion between.
--
-- TODO enthalpy
-- TODO entropy

module Biobase.Types.Energy where

import Data.Aeson (FromJSON, ToJSON)
import Data.Binary (Binary)
import Data.Default
import Data.Hashable
import Data.Serialize (Serialize)
import Data.Vector.Unboxed.Deriving
import GHC.Generics

import Biobase.Types.NumericalExtremes



-- | Gibbs free energy change.
--
-- For RNA structure, the change in energy from the unfolded structure to
-- the given structure.
--
-- In units of @kcal / mol@.
--
-- TODO shall we phantom-type the actual units?

newtype DeltaGibbs = DG { getDG :: Double }
  deriving (Eq,Ord,Num,Fractional,Read,Show,Generic)



derivingUnbox "DeltaGibbs"
  [t| DeltaGibbs -> Double |]  [| getDG |]  [| DG |]

instance Hashable  DeltaGibbs
instance Binary    DeltaGibbs
instance Serialize DeltaGibbs
instance FromJSON  DeltaGibbs
instance ToJSON    DeltaGibbs

deriving instance NumericalExtremes DeltaGibbs
deriving instance NumericalEpsilon  DeltaGibbs

instance Default DeltaGibbs where
  def = extremelyLarge
  {-# Inline def #-}



-- | @round $ DeltaGibbs / 100@.

newtype DeltaDekaGibbs = DekaG { getDekaG :: Int }
  deriving (Eq,Ord,Num,Read,Show,Generic)



derivingUnbox "DeltaDekaGibbs"
  [t| DeltaDekaGibbs -> Int |]  [| getDekaG |]  [| DekaG |]

instance Hashable  DeltaDekaGibbs
instance Binary    DeltaDekaGibbs
instance Serialize DeltaDekaGibbs
instance FromJSON  DeltaDekaGibbs
instance ToJSON    DeltaDekaGibbs

deriving instance NumericalExtremes DeltaDekaGibbs

instance Default DeltaDekaGibbs where
  def = extremelyLarge
  {-# Inline def #-}