pydseamslib.cyoda.findPrisms

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pydseamslib.cyoda.findPrisms#

pydseamslib.cyoda.findPrisms(rings: List[List[int]], ringType: List[ring::strucType], nPerfectPrisms: int, nImperfectPrisms: int, nList: List[List[int]], rmsdPerAtom: pydseamslib.cyoda.PointCloudDouble, doShapeMatching: List[float], yCloud: bool) → List[int]#

Find out which rings are prisms. Returns a vector containing all the ring IDs which are prisms

Parameters:

  • rings (The input vector of vectors containing the primitive rings of a single ring size [number of nodes])

  • ringType (A vector containing a ring::strucType value [a classification type] for each ring.)

  • nPerfectPrisms (The number of perfect prism blocks identified for the number of nodes)

  • nImperfectPrisms (The number of imperfect prism blocks identified for the number of nodes)

  • nList (The row-ordered neighbour list [by atom index])

  • rmsdPerAtom (The root mean square distance per atom)

  • doShapeMatching (If one wants to do shape matching)

  • yCloud (The input PointCloud)

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