gemmi.NeighborSearch class

Contents

Classes

class Mark

Methods

def add_atom(self, atom: Atom, n_ch: int, n_res: int, n_atom: int) -> None
Lower-level alternative to populate()
def dist(self, arg0: Position, arg1: Position, /) -> float
def find_atoms(self, pos: Position, alt: str = '\x00', radius: float = 0) -> VectorMarkPtr
def find_neighbors(self, atom: Atom, min_dist: float = 0, max_dist: float = 0) -> VectorMarkPtr
def populate(self, include_h: bool = True) -> NeighborSearch
Usually run after constructing NeighborSearch.

Special methods

def __init__(self, model: Model, cell: UnitCell, max_radius: float) -> None
def __init__(self, st: Structure, max_radius: float, model_index: int = 0) -> None
def __repr__(self, /) -> str