stk.small.SubstituentVertex
- class stk.small.SubstituentVertex(id, position)[source]
Bases:
Vertex
Represents a vertex to be bound to core.
Initialize a
Vertex
.- Parameters:
Methods
Return a clone.
Get the cell of the lattice in which the vertex is found.
Get the id.
Get the position.
Map functional groups to edges.
Place building_block on the
Vertex
.Get a clone at a certain position.
Get a clone with a scaled position.
- get_cell()
Get the cell of the lattice in which the vertex is found.
- Returns:
The cell of the lattice in which the vertex is found.
- Return type:
- map_functional_groups_to_edges(building_block, edges)[source]
Map functional groups to edges.
Each functional group in building_block needs to be assigned to an edge in edges.
- Parameters:
building_block (BuildingBlock) –
BuildingBlock
The building block which is needs to have functional groups assigned to edges.edges (tuple[Edge, ...]) – The edges to which the vertex is attached.
- Returns:
A mapping from the id of a functional group in building_block to the id of the edge in edges it is assigned to.
- Return type:
- place_building_block(building_block, edges)[source]
Place building_block on the
Vertex
.- Parameters:
building_block (BuildingBlock) – The building block molecule which is to be placed on the vertex.
edges (tuple[Edge, ...]) – The edges to which the vertex is attached.
- Returns:
The position matrix of building_block after being placed.
- Return type:
- with_position(position)
Get a clone at a certain position.
- with_scale(scale)
Get a clone with a scaled position.