ichor.core.calculators.alf package

Submodules

ichor.core.calculators.alf.cahn_ingold_prelog_alf_calculator module

calculate_alf_cahn_ingold_prelog(atom: ichor.core.atoms.Atom, connectivity_calculator=<function connectivity_calculator_valence>) → ichor.core.atoms.ALF

ichor.core.calculators.alf.sequence_alf_calculator module

calculate_alf_atom_sequence(atom: ichor.core.atoms.Atom) → ichor.core.atoms.ALF

Module contents

get_atom_alf(atom: ichor.core.atoms.Atom, alf: ichor.core.atoms.ALF | List[ichor.core.atoms.ALF] | Dict[str, ichor.core.atoms.ALF])