pydseamslib.cyoda.prismAnalysis

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pydseamslib.cyoda.prismAnalysis#

pydseamslib.cyoda.prismAnalysis(path: str, rings: List[List[int]], nList: List[List[int]], yCloud: pydseamslib.cyoda.PointCloudDouble, maxDepth: int, atomID: int, firstFrame: int, currentFrame: int, doShapeMatching: bool) → int#

Find out which rings are prisms, looping through all ring sizes upto the maxDepth The input ringsAllSizes array has rings of every size

Parameters:

  • rings (Row-ordered vector of vectors for rings of a single type)

  • path (The string to the output directory, in which files will be written out)

  • nList (Row-ordered neighbour list by index)

  • yCloud (The input PointCloud.)

  • maxDepth (The maximum possible size of the primitive rings)

  • atomID (The ID of the atom)

  • firstFrame (The first frame)

  • currentFrame (The current frame)

  • doShapeMatching (If one wants to do shape matching)

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