Isotope.Ion

This module allows the mass-to-charge ratio and polarity of ions to be calculated.

Documentation

data Polarity

The polarity of a charge. A charge can be either Positive or Negative.

Constructors

Positive

Negative

Instances

Eq Polarity

Methods

(==) :: Polarity -> Polarity -> Bool

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

Ord Polarity

Methods

compare :: Polarity -> Polarity -> Ordering

(<) :: Polarity -> Polarity -> Bool

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

(>) :: Polarity -> Polarity -> Bool

(>=) :: Polarity -> Polarity -> Bool

max :: Polarity -> Polarity -> Polarity

min :: Polarity -> Polarity -> Polarity

Read Polarity

Methods

readsPrec :: Int -> ReadS Polarity

readList :: ReadS [Polarity]

readPrec :: ReadPrec Polarity

readListPrec :: ReadPrec [Polarity]

Show Polarity

Methods

showsPrec :: Int -> Polarity -> ShowS

show :: Polarity -> String

showList :: [Polarity] -> ShowS

newtype Mz

The mass-to-charge ratio of an ion.

Constructors

Mz

Fields

• getMz :: Double

Instances

Eq Mz

Methods

(==) :: Mz -> Mz -> Bool

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

Ord Mz

Methods

compare :: Mz -> Mz -> Ordering

(<) :: Mz -> Mz -> Bool

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

(>) :: Mz -> Mz -> Bool

(>=) :: Mz -> Mz -> Bool

max :: Mz -> Mz -> Mz

min :: Mz -> Mz -> Mz

Read Mz

Methods

readsPrec :: Int -> ReadS Mz

readList :: ReadS [Mz]

readPrec :: ReadPrec Mz

readListPrec :: ReadPrec [Mz]

Show Mz

Methods

showsPrec :: Int -> Mz -> ShowS

show :: Mz -> String

showList :: [Mz] -> ShowS

class ToElementalComposition a => Ion a where

The Ion type class. This type class has two methods: mz and polarity.

Methods

mz :: a -> Mz

polarity :: a -> Polarity

Instances

ToElementalComposition a => Ion (Deprotonated a)

Methods

mz :: Deprotonated a -> Mz

polarity :: Deprotonated a -> Polarity

ToElementalComposition a => Ion (Protonated a)

Methods

mz :: Protonated a -> Mz

polarity :: Protonated a -> Polarity

newtype Protonated a

Protonated represents a protonated ion.

Constructors

Protonated a

Instances

Eq a => Eq (Protonated a)

Methods

(==) :: Protonated a -> Protonated a -> Bool

(/=) :: Protonated a -> Protonated a -> Bool

Ord a => Ord (Protonated a)

Methods

compare :: Protonated a -> Protonated a -> Ordering

(<) :: Protonated a -> Protonated a -> Bool

(<=) :: Protonated a -> Protonated a -> Bool

(>) :: Protonated a -> Protonated a -> Bool

(>=) :: Protonated a -> Protonated a -> Bool

max :: Protonated a -> Protonated a -> Protonated a

min :: Protonated a -> Protonated a -> Protonated a

Read a => Read (Protonated a)

Methods

readsPrec :: Int -> ReadS (Protonated a)

readList :: ReadS [Protonated a]

readPrec :: ReadPrec (Protonated a)

readListPrec :: ReadPrec [Protonated a]

Show a => Show (Protonated a)

Methods

showsPrec :: Int -> Protonated a -> ShowS

show :: Protonated a -> String

showList :: [Protonated a] -> ShowS

ToElementalComposition a => ToElementalComposition (Protonated a)

Methods

toElementalComposition :: Protonated a -> ElementalComposition

charge :: Protonated a -> Maybe Charge

monoisotopicMass :: Protonated a -> MonoisotopicMass

nominalMass :: Protonated a -> NominalMass

averageMass :: Protonated a -> AverageMass

ToElementalComposition a => Ion (Protonated a)

Methods

mz :: Protonated a -> Mz

polarity :: Protonated a -> Polarity

doublyProtonated :: a -> Protonated (Protonated a)

doublyProtonated takes a type and returns a doubly Protonated ion.

newtype Deprotonated a

Deprotonated represents a deprotonated ion.

Constructors

Deprotonated a

Instances

Eq a => Eq (Deprotonated a)

Methods

(==) :: Deprotonated a -> Deprotonated a -> Bool

(/=) :: Deprotonated a -> Deprotonated a -> Bool

Ord a => Ord (Deprotonated a)

Methods

compare :: Deprotonated a -> Deprotonated a -> Ordering

(<) :: Deprotonated a -> Deprotonated a -> Bool

(<=) :: Deprotonated a -> Deprotonated a -> Bool

(>) :: Deprotonated a -> Deprotonated a -> Bool

(>=) :: Deprotonated a -> Deprotonated a -> Bool

max :: Deprotonated a -> Deprotonated a -> Deprotonated a

min :: Deprotonated a -> Deprotonated a -> Deprotonated a

Read a => Read (Deprotonated a)

Methods

readsPrec :: Int -> ReadS (Deprotonated a)

readList :: ReadS [Deprotonated a]

readPrec :: ReadPrec (Deprotonated a)

readListPrec :: ReadPrec [Deprotonated a]

Show a => Show (Deprotonated a)

Methods

showsPrec :: Int -> Deprotonated a -> ShowS

show :: Deprotonated a -> String

showList :: [Deprotonated a] -> ShowS

ToElementalComposition a => ToElementalComposition (Deprotonated a)

Methods

toElementalComposition :: Deprotonated a -> ElementalComposition

charge :: Deprotonated a -> Maybe Charge

monoisotopicMass :: Deprotonated a -> MonoisotopicMass

nominalMass :: Deprotonated a -> NominalMass

averageMass :: Deprotonated a -> AverageMass

ToElementalComposition a => Ion (Deprotonated a)

Methods

mz :: Deprotonated a -> Mz

polarity :: Deprotonated a -> Polarity

doublyDeprotonated :: a -> Deprotonated (Deprotonated a)

doublyDeprotonated takes a type and returns a doubly Deprotonated ion.