stk.SecondaryAminoFactory

class stk.SecondaryAminoFactory(bonders=(1,), deleters=(0,), placers=None)[source]

Bases: FunctionalGroupFactory

Creates SecondaryAmino instances.

Creates functional groups from substructures, which match the [H][N]([#6])[#6] functional group string.

Examples

Creating Functional Groups with the Factory

You want to create a building block which has SecondaryAmino functional groups. You want the nitrogen atom in those functional groups to be the bonder atom, and the hydrogen atom to be the deleter atom.

import stk

building_block = stk.BuildingBlock(
    smiles='N(CCCC)CCCC',
    functional_groups=(stk.SecondaryAminoFactory(), ),
)

Changing the Bonder and Deleter Atoms

You want to create a building block which has SecondaryAmino functional groups. You want the nitrogen atom to be the bonder atom and one of the carbon atoms to be the deleter atom.

import stk

secondary_amino_factory = stk.SecondaryAminoFactory(
    # The index of the nitrogen atom in the functional
    # group string (see docstring) is 1.
    bonders=(1, ),
    # The index of one of the carbon atoms in the functional
    # group string (see docstring) is 2.
    deleters=(2, ),
)
building_block = stk.BuildingBlock(
    smiles='N(CCCC)CCCC',
    functional_groups=(secondary_amino_factory, ),
)