pydseamslib.cyoda.neighbourListByIndex

pydseamslib.cyoda.neighbourListByIndex(yCloud: pydseamslib.cyoda.PointCloudDouble, nList: List[List[int]]) → List[List[int]]

Converts the neighbour list build with atom IDs into a neighbour list of atom indices, according to the pointCloud

Parameters:

• yCloud (The input molSys::PointCloud)

• nList (Full neighbour list, by atom ID)