[][src]Module purr::valence

Enums

Error

Functions

hypovalence

Returns the difference between the next-nearest target valence and the bond order sum. Returns None if valence targets are not defined. Includes hcount, but disregards aromatic flag. Returns error if target valences are available but none match.

implicit_hydrogens

Returns the implicit hydrogen count for the atom, or None if the atom isn't a member of the valence model.

targets

Returns valence target for Atom. Uses the valence model presented in Hydrogen Suppression in SMILES

valence

Returns the sum of bond orders using this model: