stko.topology_functions.NamedIntermediate

class stko.topology_functions.NamedIntermediate(intermediate_name, molecule, present_bbs, num_atoms, count_bbs)[source]

Bases: object

Named intermediate container.

Attributes

intermediate_name

molecule

present_bbs

num_atoms

count_bbs

Parameters:
  • intermediate_name (str)

  • molecule (BuildingBlock)

  • present_bbs (dict[BuildingBlock, list[int]])

  • num_atoms (int)

  • count_bbs (int)

count_bbs: int
intermediate_name: str
molecule: BuildingBlock
num_atoms: int
present_bbs: dict[BuildingBlock, list[int]]