stko.functional_groups.CNCFactory

class stko.functional_groups.CNCFactory(bonders=(1,), deleters=())

Bases: ThreeSiteFactory

A subclass of ThreeSiteFactory.

Warning

This code is only present in the latest versions of stko that require Python 3.11!

SMARTs string for [carbon][nitrogen][carbon]: “[#6]~[#7X2]~[#6]”

Methods

get_functional_groups

Yield functional groups in molecule.

Parameters:

• bonders (tuple[int, ...])

• deleters (tuple[int, ...])

get_functional_groups(molecule)

Yield functional groups in molecule.

Parameters:

molecule (Molecule) – The molecule, whose functional groups are to be found.

Yields:

FunctionalGroup – A functional group in molecule.

Return type:

Iterable[ThreeSiteFG]

Examples

See FunctionalGroupFactory.