pydseamslib.cyoda.deformedPrismTypes

pydseamslib.cyoda.deformedPrismTypes#

pydseamslib.cyoda.deformedPrismTypes(atomState: List[ring::strucType], atomTypes: List[int], maxDepth: int) → int#

Get the atom type values for deformed prisms

Parameters:

  • atomState (The state of the atom)

  • atomTypes (A vector which contains a type for each atom, depending on it's type as classified by the prism identification scheme)

  • maxDepth (The maximum depth or maximum length of the rings.)

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