stk.host_guest.Guest

class stk.host_guest.Guest(building_block, start_vector=(1.0, 0.0, 0.0), end_vector=(1.0, 0.0, 0.0), displacement=(0.0, 0.0, 0.0))

Bases: object

Holds the data defining the placement of a guest molecule.

Initialize a Guest instance.

Parameters:

• building_block (BuildingBlock) – The guest molecule.

• start_vector (tuple[float, float, float]) – A direction vector which gets aligned with end_vector.

• end_vector (tuple[float, float, float]) – A direction vector which determines the rotation applied to the building_block. A rotation such that start_vector is transformed into end_vector is applied.

• displacement (tuple[float, float, float]) – The translational offset of the guest.

Methods

get_building_block	Return the building block.
get_displacement	Return the displacement.
get_end_vector	Return the end vector.
get_start_vector	Return the start vector.

get_building_block()

Return the building block.

Returns:

The building block.

Return type:

BuildingBlock

get_displacement()

Return the displacement.

Returns:

The displacement.

Return type:

tuple[float, float, float]

get_end_vector()

Return the end vector.

Returns:

The end vector.

Return type:

tuple[float, float, float]

get_start_vector()

Return the start vector.

Returns:

The start vector.

Return type:

tuple[float, float, float]