pydseamslib.cyoda.relaxedPrismConditions

pydseamslib.cyoda.relaxedPrismConditions#

pydseamslib.cyoda.relaxedPrismConditions(nList: List[List[int]], basal1: List[int], basal2: List[int]) → bool#

Two candidate basal rings of a prism block should have at least one bond between them

Parameters:

  • nList (Row-ordered neighbour list by atom index)

  • basal1 (The vector for one of the basal rings)

  • basal2 (The vector for the other basal ring.)

Contents