class_docstr: Adjacency List of neighbors in 3-space
  Neighbors determined by user-defined distance cutoff [in Angstrom].
  
  https://en.wikipedia.org/wiki/Cell_list
  Ref: http://www.cs.cornell.edu/ron/references/1989/Calculations%20of%20a%20List%20of%20Neighbors%20in%20Molecular%20Dynamics%20Si.pdf
  
  Example:
  
  >>> n_atoms = 6
  >>> n_neighbors = 6
  >>> cutoff = 12.0
  >>> boxsize = None
  >>> input_file = "test.sdf"
  >>> tasks = ["energy"]
  >>> featurizers = NeighborListAtomicCoordinates(n_atoms, n_neighbors, cutoff, boxsize)
  >>> featurizer = dc.data.SDFLoader(tasks, smiles_field="smiles", mol_field="mol",
                      featurizer=featurizers)
  >>> dataset = featurizer.featurize(input_file) 
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docstr: Initialize NeighborListAtomicCoordinates featurizer.
  
  Parameters
  ----------
  max_num_atoms: int
    Maximum number of atoms.
  max_num_neighbors: int
    Maximum number of neighbors per atom.
  neighbor_cutoff: float
    Threshold distance [Angstroms] for counting neighbors.
  boxsize: float, optional (default None)
    Size of periodic box. If None, no periodic boundary conditions.
docstr_tok: ["Initialize","NeighborListAtomicCoordinates","featurizer",".","Parameters","--","--","--","--","--","max_num_atoms",":","int","Maximum","number","of","atoms",".","max_num_neighbors",":","int","Maximum","number","of","neighbors","per","atom",".","neighbor_cutoff",":","float","Threshold","distance","[","Angstroms","]","for","counting","neighbors",".","boxsize",":","float",",","optional","(","default","None",")","Size","of","periodic","box",".","If","None",",","no","periodic","boundary","conditions","."]
code: def __init__(
      self,
      max_num_atoms,
      max_num_neighbors,
      neighbor_cutoff,
      boxsize=None,
  ):
      """Initialize NeighborListAtomicCoordinates featurizer.
  
      Parameters
      ----------
      max_num_atoms: int
        Maximum number of atoms.
      max_num_neighbors: int
        Maximum number of neighbors per atom.
      neighbor_cutoff: float
        Threshold distance [Angstroms] for counting neighbors.
      boxsize: float, optional (default None)
        Size of periodic box. If None, no periodic boundary conditions.
  
      """
      if boxsize is not None and boxsize < 2 * neighbor_cutoff:
          raise ValueError(
              "boxsize must be greater than 2*neighbor_cutoff"
          )
      self.max_num_atoms = max_num_atoms
      self.max_num_neighbors = max_num_neighbors
      self.neighbor_cutoff = neighbor_cutoff
      self.boxsize = boxsize
      self.dtype = object
  
file_path: deepchem/contrib/atomicconv/feat/atomicnet_coordinates.py
imports: from __future__ import print_function
  from __future__ import division
  from __future__ import unicode_literals
  import numpy
  from rdkit import Chem
  from deepchem.feat import Featurizer
  from deepchem.feat import ComplexFeaturizer
  from deepchem.utils import pad_array
label_desc: Use image node_id 1 to create a new NeighborListAtomicCoordinates object from inherited base classes: Featurizer with example: obj = NeighborListAtomicCoordinates(max_num_atoms, max_num_neighbors, neighbor_cutoff, boxsize)