ZEBEDDE-0.1.0.0: Polymer growth simulation method

Safe HaskellNone
LanguageHaskell2010

ZEBEDDE.Core.Molecule

Documentation

type Atom = (String, Int, Vec) Source

element :: Atom -> String Source

mass :: Atom -> Int Source

position :: Atom -> Vec Source

doToAtom :: (t -> t3) -> (t1, t2, t) -> (t1, t2, t3) Source

type Molecule = (String, Basis, [Atom]) Source

name :: (t, t1, t2) -> t Source

basis :: (t, t1, t2) -> t1 Source

atoms :: (t, t1, t2) -> t2 Source

newMolecule :: t -> [Atom] -> (t, Basis, [Atom]) Source

doToMolecule :: ([Atom] -> [Atom]) -> Molecule -> Molecule Source

doToMolecule' :: (Vec -> Vec) -> Molecule -> Molecule Source