pydseamslib.cyoda.topoUnitMatchingBulk

pydseamslib.cyoda.topoUnitMatchingBulk#

pydseamslib.cyoda.topoUnitMatchingBulk(path: str, rings: List[List[int]], nList: List[List[int]], yCloud: pydseamslib.cyoda.PointCloudDouble, firstFrame: int, printClusters: bool, onlyTetrahedral: bool) → int#

Topological unit matching for bulk water. If printClusters is true, individual clusters of connected cages are printed

Parameters:

  • path (The file path of the output directory to which output files will be written)

  • rings (Vector of vectors containing the primitive rings. This should contain rings of only size 6)

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

  • yCloud (The input PointCloud, with respect to which the indices in the rings and nList vector of vectors have been saved.)

  • firstFrame (First frame to be analyzed)

  • printClusters (The number of hexagonal cages)

  • onlyTetrahedral (Flag for only finding DDCs and HCs (true) or also finding PNCs (false))

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