pydseamslib.cyoda.countAllRingsFromIndex

pydseamslib.cyoda.countAllRingsFromIndex#

pydseamslib.cyoda.countAllRingsFromIndex(neighHbondList: List[List[int]], maxDepth: int) primitive::Graph#

Creates a vector of vectors of all possible rings

Parameters:
  • neighHbondList (Row-ordered neighbour list by atom index [not ID])

  • maxDepth (The maximum depth upto which rings will be searched. This means that rings larger than maxDepth will not be generated)