radium-0.8.0: Chemistry

CopyrightCopyright (C) 2014 Krzysztof Langner
LicenseBSD3
MaintainerKrzysztof Langner <klangner@gmail.com>
Stabilityalpha
Portabilityportable
Safe HaskellSafe
LanguageHaskell2010

Radium.Formats.Condensed

Description

Parser for condensed formula format (http:/en.wikipedia.orgwiki/Structural_formula#Condensed_formulas). . Formula can be entered as H2O, 2H2O, SO4+2 (Sulfate) or (CH3)2CO (Acetone)

Synopsis

Documentation

data Molecule a Source #

Constructors

Ion (Molecule a) Int 
Molecule [Molecule a] Int 
Element a Int 

Instances

Functor Molecule Source # 

Methods

fmap :: (a -> b) -> Molecule a -> Molecule b #

(<$) :: a -> Molecule b -> Molecule a #

Eq a => Eq (Molecule a) Source # 

Methods

(==) :: Molecule a -> Molecule a -> Bool #

(/=) :: Molecule a -> Molecule a -> Bool #

Show a => Show (Molecule a) Source # 

Methods

showsPrec :: Int -> Molecule a -> ShowS #

show :: Molecule a -> String #

showList :: [Molecule a] -> ShowS #

readCondensed :: String -> SymbolMolecule Source #

Parse formula

parseFormula "C2H4" `shouldBe` Molecule [Element "C" 2, Element "H", 4)]  

writeCondensed :: SymbolMolecule -> String Source #

Write Molecule to string