stk.DifluoroFactory

class stk.DifluoroFactory(bonders=(1, 2), deleters=(0, 3), placers=None)[source]

Bases: FunctionalGroupFactory

Creates Difluoro instances.

Creates functional groups from substructures, which match the [F][#6]~[#6][F] functional group string.

Examples

Creating Functional Groups with the Factory

You want to create a building block which has Difluoro functional groups. You want the non-fluorine atoms in those functional groups to be the bonder atoms, and the fluorine atoms to be the deleter atoms.

import stk

building_block = stk.BuildingBlock(
    smiles='FCC(F)CCC',
    functional_groups=(stk.DifluoroFactory(), ),
)

Changing the Bonder and Deleter Atoms

You want to create a building block which has Difluoro functional groups, You want only one of non-fluorine atoms to be a bonder atom and its neighboring fluorine atom to be a deleter atom.

import stk

difluoro_factory = stk.DifluoroFactory(
    # The index of one of the non-fluorine atoms in the
    # functional group string (see docstring) is 1.
    bonders=(1, ),
    # The neighboring fluorine atom has an index of 0.
    deleters=(0, ),
)
building_block = stk.BuildingBlock(
    smiles='FCC(F)CCC',
    functional_groups=(difluoro_factory, ),
)