stk.polymer.HeadVertex
- class stk.polymer.HeadVertex(id, position, flip)[source]
Bases:
TerminalVertex
Represents a vertex at the head of a polymer chain.
Initialize a
LinearVertex
instance.- Parameters:
Methods
Return a clone.
Get the cell of the lattice in which the vertex is found.
Return whether the vertex flips building blocks it places.
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.
- clone()
Return a clone.
- Returns:
The clone.
- 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:
- get_flip()
Return whether the vertex flips building blocks it places.
- Returns:
True
if the vertex flips building blocks it places.- Return type:
- map_functional_groups_to_edges(building_block, edges)
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)
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.