Data.SMILES

Documentation

newtype SMILES

Constructors

SMILES

Fields

• getSMILES :: [ChainToken]

Instances

Eq SMILES

Methods

(==) :: SMILES -> SMILES -> Bool

(/=) :: SMILES -> SMILES -> Bool

Ord SMILES

Methods

compare :: SMILES -> SMILES -> Ordering

(<) :: SMILES -> SMILES -> Bool

(<=) :: SMILES -> SMILES -> Bool

(>) :: SMILES -> SMILES -> Bool

(>=) :: SMILES -> SMILES -> Bool

max :: SMILES -> SMILES -> SMILES

min :: SMILES -> SMILES -> SMILES

Read SMILES

Methods

readsPrec :: Int -> ReadS SMILES

readList :: ReadS [SMILES]

readPrec :: ReadPrec SMILES

readListPrec :: ReadPrec [SMILES]

Show SMILES

Methods

showsPrec :: Int -> SMILES -> ShowS

show :: SMILES -> String

showList :: [SMILES] -> ShowS

data ChainToken

Constructors

Atom Atom

Bond Bond

RingClosure (Maybe Bond) Int

Branch SMILES

Instances

Eq ChainToken

Methods

(==) :: ChainToken -> ChainToken -> Bool

(/=) :: ChainToken -> ChainToken -> Bool

Ord ChainToken

Methods

compare :: ChainToken -> ChainToken -> Ordering

(<) :: ChainToken -> ChainToken -> Bool

(<=) :: ChainToken -> ChainToken -> Bool

(>) :: ChainToken -> ChainToken -> Bool

(>=) :: ChainToken -> ChainToken -> Bool

max :: ChainToken -> ChainToken -> ChainToken

min :: ChainToken -> ChainToken -> ChainToken

Read ChainToken

Methods

readsPrec :: Int -> ReadS ChainToken

readList :: ReadS [ChainToken]

readPrec :: ReadPrec ChainToken

readListPrec :: ReadPrec [ChainToken]

Show ChainToken

Methods

showsPrec :: Int -> ChainToken -> ShowS

show :: ChainToken -> String

showList :: [ChainToken] -> ShowS