pydseamslib.cyoda.populateGraphFromNListID

pydseamslib.cyoda.populateGraphFromNListID#

pydseamslib.cyoda.populateGraphFromNListID(yCloud: pydseamslib.cyoda.PointCloudDouble, neighHbondList: List[List[int]]) primitive::Graph#

Creates a graph object and fills it with the information from a neighbour list and pointCloud created before

Parameters:
  • yCloud (The input PointCloud.)

  • neighHbondList (The row-ordered neighbour list, containing atom IDs, and not the atom indices)