| Safe Haskell | None |
|---|---|
| Language | Haskell98 |
Bio.PDB.Structure.Elements
Description
Basic properties of chemical Elements as suggested by Cambridge Structural Database.
NOTE: This module contains functions that could use hash tables for the lookup instead. See https://ghc.haskell.org/trac/ghc/ticket/10565
- type Element = ByteString
- assignElement :: Atom -> Element
- guessElement :: ByteString -> ByteString
- atomicNumber :: Element -> Int
- atomicMass :: Element -> Double
- covalentRadius :: Element -> Double
- maxCovalentRadius :: Double
- vanDerWaalsRadius :: Element -> Double
- maxVanDerWaalsRadius :: Double
Documentation
type Element = ByteString Source #
Type alias for Element names.
guessElement :: ByteString -> ByteString Source #
atomicNumber :: Element -> Int Source #
Atomic number of a given element
atomicMass :: Element -> Double Source #
Atomic mass of a given element in g/mol
covalentRadius :: Element -> Double Source #
Covalent radius of an element with a given name.
maxCovalentRadius :: Double Source #
Upper bound of covalentRadius.
vanDerWaalsRadius :: Element -> Double Source #
Van der Waals radius of the given element
maxVanDerWaalsRadius :: Double Source #
Upper bound of vanDerWaalsRadius.