| Safe Haskell | None |
|---|
Bio.PDB.Structure.Elements
- type Element = ByteString
- assignElement :: Atom -> Element
- guessElement :: ByteString -> Element
- atomicNumber :: Element -> Int
- atomicMass :: Element -> Double
- covalentRadius :: (Eq a1, Fractional a, Show a1, IsString a1) => a1 -> a
- vanDerWaalsRadius :: Element -> Double
Documentation
type Element = ByteStringSource
Basic elemental parameters as suggested by CSD.
TODO: May be better as a newtype, and make sure that other modules use this declaration
assignElement :: Atom -> ElementSource
atomicNumber :: Element -> IntSource
Atomic number of a given element
atomicMass :: Element -> DoubleSource
Atomic mass of a given element in g/mol
covalentRadius :: (Eq a1, Fractional a, Show a1, IsString a1) => a1 -> aSource
vanDerWaalsRadius :: Element -> DoubleSource
Van der Waals radius of the given element