original_docstring: 
      Filter the SMILES strings to exclude those whose atom count is above
      `max_atoms`.
      Args:
        sample_dic (dict): Sample of `summary_dic` that will be used in this dataset
        max_atoms (int): Maximum number of atoms allowed in a species
      Returns:
        sample_dic (dict): Updated `sample_dic` with the above filter applied.
      
docstring: Filter the SMILES strings to exclude those whose atom count is above
  `max_atoms`.
docstring_tokens: Filter the SMILES strings to exclude those whose atom count is above ` max_atoms ` .
code: def filter_atoms(sample_dic, max_atoms):
      """
      Filter the SMILES strings to exclude those whose atom count is above
      `max_atoms`.
      Args:
        sample_dic (dict): Sample of `summary_dic` that will be used in this dataset
        max_atoms (int): Maximum number of atoms allowed in a species
      Returns:
        sample_dic (dict): Updated `sample_dic` with the above filter applied.
      """
  
      # if `max_atoms` is unspecified then the default is no limit
      if max_atoms is None:
          max_atoms = float("inf")
  
      smiles_list = list(sample_dic.keys())
      good_smiles = []
  
      for smiles in tqdm(smiles_list):
          mol = Chem.MolFromSmiles(smiles)
          mol = Chem.AddHs(mol)
          num_atoms = mol.GetNumAtoms()
          if num_atoms <= max_atoms:
              good_smiles.append(smiles)
  
      sample_dic = {smiles: sample_dic[smiles] for
                    smiles in good_smiles}
  
      return sample_dic
code_tokens: def filter_atoms ( sample_dic , max_atoms ) : if max_atoms is None : max_atoms = float ( "inf" ) smiles_list = list ( sample_dic . keys ( ) ) good_smiles = [ ] for smiles in tqdm ( smiles_list ) : mol = Chem . MolFromSmiles ( smiles ) mol = Chem . AddHs ( mol ) num_atoms = mol . GetNumAtoms ( ) if num_atoms <= max_atoms : good_smiles . append ( smiles ) sample_dic = { smiles : sample_dic [ smiles ] for smiles in good_smiles } return sample_dic
short_docstring: Filter the SMILES strings to exclude those whose atom count is above
  `max_atoms`.
short_docstring_tokens: Filter the SMILES strings to exclude those whose atom count is above ` max_atoms ` .
comment: """
      Filter the SMILES strings to exclude those whose atom count is above
      `max_atoms`.
      Args:
        sample_dic (dict): Sample of `summary_dic` that will be used in this dataset
        max_atoms (int): Maximum number of atoms allowed in a species
      Returns:
        sample_dic (dict): Updated `sample_dic` with the above filter applied.
      """$SEP$# if `max_atoms` is unspecified then the default is no limit