mythos.utils.neighbors ====================== .. py:module:: mythos.utils.neighbors .. autoapi-nested-parse:: Utilities for using neighbor lists. Attributes ---------- .. autoapisummary:: mythos.utils.neighbors.ERR_NEIGHBORS_INVALID_BONDED_NEIGHBORS Functions --------- .. autoapisummary:: mythos.utils.neighbors.get_neighbor_list_fn Module Contents --------------- .. py:data:: ERR_NEIGHBORS_INVALID_BONDED_NEIGHBORS :value: 'Indices of bonded neighbors must be bewteen 0 and n_nucleotides-1' .. py:function:: get_neighbor_list_fn(bonded_neighbors: numpy.ndarray, n_nucleotides: int, displacement_fn: collections.abc.Callable, box_size: float, r_cutoff: float = 10.0, dr_threshold: float = 0.2) -> collections.abc.Callable Construct a neighbor list function for unbonded pairs. This function constructs a neighbor list function for identifying neighboring particles that are not bonded. To achieve this, it uses the provided list of bonded neighbors to explicitly exclude bonded pairs from the neighbor list by creating a mask.