cgexplore.scram.get_vertex_alignments

cgexplore.scram.get_vertex_alignments(iterator, allow_rotation)[source]

Get potential vertex alignment dictionaries.

Parameters:
  • iterator (TopologyIterator) – The graph iterator.

  • allow_rotation (Sequence[int]) – Which building blocks to allow rotation based on the number of functional groups.

Return type:

Sequence[VertexAlignment]