stk.BondInfo

class stk.BondInfo(bond, building_block, building_block_id)[source]

Bases: object

Holds additional info about ConstructedMolecule bonds.

Parameters:

bond (Bond) – The bond about which information is held.
building_block (Molecule | None) – The building block from which the bond originates. Can be None, if the bond was not part of a building block, but was added by the construction process instead.
building_block_id (int | None) – A unique id for each Molecule placed during the construction of the ConstructedMolecule. As a single Molecule can be placed multiple times during construction, the building_block_id allows the user to distinguish between each placement. Can be None, if the bond was not part of a building block, but was added by the construction process instead.

Methods

`get_bond`	Get the bond about which information is held.
`get_building_block`	Get the building block from which the bond originates.
`get_building_block_id`	Get the id of the bond's building block.

get_bond()[source]

Get the bond about which information is held.

Returns:: The bond.
Return type:: Bond

get_building_block()[source]

Get the building block from which the bond originates.

Returns:: The building block or None, if the bond was not originally found in a building block, but was added by the construction process instead.
Return type:: Molecule | None

get_building_block_id()[source]

Get the id of the bond’s building block.

A unique id for each Molecule placed during the construction of the ConstructedMolecule. As a single Molecule can be placed multiple times during construction, the building block id allows the user to distinguish between each placement.

Returns:: The id, if the bond was not originally found in a building block, but was added by the construction process instead.
Return type:: int | None