Safe Haskell	Safe
Language	Haskell2010

Radium.Element

Description

Maintainer : Krzysztof Langner klangner@gmail.com Stability : alpha Portability : portable

This module contains Periodic Table with information about all known elements.

Synopsis

Documentation

data Element Source #

Element from periodic table configuration

Constructors

Element
Fields atomicNumber :: Int symbol :: String _name :: String atomWeight :: Double electroNegativity :: Double ionizationEnergy :: Double
Unknown

Instances

Eq Element Source #
Methods (==) :: Element -> Element -> Bool # (/=) :: Element -> Element -> Bool #
Show Element Source #
Methods showsPrec :: Int -> Element -> ShowS # show :: Element -> String # showList :: [Element] -> ShowS #

data Ion Source #

Atom with non-ground atom shell

Constructors

Ion
Fields ionElement :: Element ionCharge :: Int

Instances

Show Ion Source #
Methods showsPrec :: Int -> Ion -> ShowS # show :: Ion -> String # showList :: [Ion] -> ShowS #

data OrbitalId Source #

Orbitals have names: s, p, d ,f, g, h

Constructors

S
P
D
F
G
H

Instances

Enum OrbitalId Source #
Methods succ :: OrbitalId -> OrbitalId # pred :: OrbitalId -> OrbitalId # toEnum :: Int -> OrbitalId # fromEnum :: OrbitalId -> Int # enumFrom :: OrbitalId -> [OrbitalId] # enumFromThen :: OrbitalId -> OrbitalId -> [OrbitalId] # enumFromTo :: OrbitalId -> OrbitalId -> [OrbitalId] # enumFromThenTo :: OrbitalId -> OrbitalId -> OrbitalId -> [OrbitalId] #
Eq OrbitalId Source #
Methods (==) :: OrbitalId -> OrbitalId -> Bool # (/=) :: OrbitalId -> OrbitalId -> Bool #
Ord OrbitalId Source #
Methods compare :: OrbitalId -> OrbitalId -> Ordering # (<) :: OrbitalId -> OrbitalId -> Bool # (<=) :: OrbitalId -> OrbitalId -> Bool # (>) :: OrbitalId -> OrbitalId -> Bool # (>=) :: OrbitalId -> OrbitalId -> Bool # max :: OrbitalId -> OrbitalId -> OrbitalId # min :: OrbitalId -> OrbitalId -> OrbitalId #
Show OrbitalId Source #
Methods showsPrec :: Int -> OrbitalId -> ShowS # show :: OrbitalId -> String # showList :: [OrbitalId] -> ShowS #

data OrbitalState Source #

Orbital configuration

Constructors

State
Fields orbitalLayer :: Int orbitalSublayer :: OrbitalId orbitalElectrons :: Int

Instances

Eq OrbitalState Source #
Methods (==) :: OrbitalState -> OrbitalState -> Bool # (/=) :: OrbitalState -> OrbitalState -> Bool #
Show OrbitalState Source #
Methods showsPrec :: Int -> OrbitalState -> ShowS # show :: OrbitalState -> String # showList :: [OrbitalState] -> ShowS #

covalentBounds :: Element -> Int Source #

Number of covalent bounds in element

let e = element 8
covalentBounds e == 2

electronConfig :: Element -> [Int] Source #

Show number of electrons in each shell For elements which are exception to Aufbau principle configuration is given manually Is it possible to calculate it for all elements based only on atom properties?

let e = element 8
electronConfig e == [2, 6]

element :: Int -> Element Source #

Find element by its atomic number

atomicNumber (element 8) == 8

elementBySymbol :: String -> Element Source #

Find element by its symbol

atomicNumber (elementBySymbol "O") == 8

ionElectronConfig :: Ion -> [Int] Source #

Show number of electrons in each shell for an ionized state of an atom

let i = Ion (element 20) 2
ionElectronConfig i == [2, 8, 8]
let i = Ion (element 17) (-1)
ionElectronConfig i == [2, 8, 8]

possibleElectronConfigs :: Element -> [[OrbitalState]] Source #

Generate all possible electron configs (unexcited and excited) for a given element

possibleIonElectronConfigs :: Ion -> [[OrbitalState]] Source #

Generate all possible electron configs (unexcited and excited) for a given ion | By now it assumes that removing electrons starts from the highest layer, | whereas adding electrons follows the same way as while moving along periodic table

possibleIonValences :: Ion -> [Int] Source #

Get list of all possible valences for an ion

possibleValences :: Element -> [Int] Source #

Get list of all possible coordination numbers (valences)

valenceElectrons :: Element -> Int Source #

Number of valance electrons

let e = element 8
valenceElectrons e == 6