class_docstr: Test AtomicCoordinates.
class_docstr_tok: ["Test","AtomicCoordinates","."]
docstr: Simple test that Neighbor Lists have right shape.
docstr_tok: ["Simple","test","that","Neighbor","Lists","have","right","shape","."]
code: def test_neighbor_list_shape(self):
      """
      Simple test that Neighbor Lists have right shape.
      """
      nblist_featurizer = NeighborListAtomicCoordinates()
      N = self.mol.GetNumAtoms()
      coords = self.get_angstrom_coords(self.mol)
  
      nblist_featurizer = NeighborListAtomicCoordinates()
      nblist = nblist_featurizer._featurize(self.mol)[1]
      assert isinstance(nblist, dict)
      assert len(nblist.keys()) == N
      for atom, neighbors in nblist.items():
          assert isinstance(atom, int)
          assert isinstance(neighbors, list)
          assert len(neighbors) <= N
  
      # Do a manual distance computation and make
      for i in range(N):
          for j in range(N):
              dist = np.linalg.norm(coords[i] - coords[j])
              logger.info("Distance(%d, %d) = %f" % (i, j, dist))
              if dist < nblist_featurizer.neighbor_cutoff and i != j:
                  assert j in nblist[i]
              else:
                  assert j not in nblist[i]
  
file_path: deepchem/deepchem/feat/tests/test_atomic_coordinates.py
imports: import os
  import logging
  import numpy
  import unittest
  from deepchem.utils import conformers
  from deepchem.feat import AtomicCoordinates
  from deepchem.feat import NeighborListAtomicCoordinates
  from deepchem.feat import NeighborListComplexAtomicCoordinates
label_desc: Use image node_id 3 for calling the TestAtomicCoordinates obj's underlying member method code with example usage: obj.test_neighbor_list_shape() without return types