Text.Molfile.AtomType

Definitions

calcMolAtomType : Foldable f => f MolBond -> Atom Isotope Charge p Radical h t c l -> Atom Isotope Charge p Radical HCount AtomType c l

  Compute the atom type and implicit hydrogen count
  of an atom with charge and information about
  racicals set, that is bound to its neighbours by `MolBond`s.

Totality: total
Visibility: export

perceiveMolAtomTypes : MolGraph -> MolGraphAT

  Perceive atom types and implicit hydrogens for a .mol-file graph

Totality: total
Visibility: export