Energy.hs

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

module Biobase.Types.Energy where

import Control.DeepSeq
import Control.Lens
import Data.Aeson (FromJSON, ToJSON)
import Data.Binary (Binary)
import Data.Data
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 DG = DG { dG :: Double }
  deriving (Eq,Ord,Num,Fractional,Read,Show,Generic,Data,Typeable)
makeLenses ''DG

derivingUnbox "DG"
  [t| DG -> Double |]  [| dG |]  [| DG |]

instance Hashable  DG
instance Binary    DG
instance Serialize DG
instance FromJSON  DG
instance ToJSON    DG
instance NFData    DG

deriving instance NumericalExtremes DG
deriving instance NumericalEpsilon  DG

instance Default DG where
  def = maxLarge
  {-# Inline def #-}



-- | @round $ DG / 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
instance NFData    DeltaDekaGibbs

deriving instance NumericalExtremes DeltaDekaGibbs

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