docstr: Test that a PDBQT molecule can be converted back in to PDB.
docstr_tok: ["Test","that","a","PDBQT","molecule","can","be","converted","back","in","to","PDB","."]
code: def test_pdbqt_to_pdb(self):
      """Test that a PDBQT molecule can be converted back in to PDB."""
      xyz, mol = rdkit_utils.load_molecule(
          self.protein_file, calc_charges=False, add_hydrogens=False
      )
      with tempfile.TemporaryDirectory() as tmp:
          out_pdb = os.path.join(tmp, "mol.pdb")
          out_pdbqt = os.path.join(tmp, "mol.pdbqt")
  
          rdkit_utils.write_molecule(mol, out_pdb, is_protein=True)
          rdkit_utils.write_molecule(mol, out_pdbqt, is_protein=True)
  
          pdb_block = pdbqt_utils.pdbqt_to_pdb(out_pdbqt)
          from rdkit import Chem
  
          pdb_mol = Chem.MolFromPDBBlock(
              pdb_block, sanitize=False, removeHs=False
          )
  
          xyz, pdbqt_mol = rdkit_utils.load_molecule(
              out_pdbqt, add_hydrogens=False, calc_charges=False
          )
  
      assert pdb_mol.GetNumAtoms() == pdbqt_mol.GetNumAtoms()
      for atom_idx in range(pdb_mol.GetNumAtoms()):
          atom1 = pdb_mol.GetAtoms()[atom_idx]
          atom2 = pdbqt_mol.GetAtoms()[atom_idx]
          assert atom1.GetAtomicNum() == atom2.GetAtomicNum()
  
file_path: deepchem/deepchem/utils/test/test_pdbqt_utils.py
imports: import unittest
  import os
  import tempfile
  from deepchem.utils import rdkit_utils
  from deepchem.utils import pdbqt_utils
label_desc: Use image node_id 2 for calling the TestPDBQTUtils obj's underlying member method code with example usage: obj.test_pdbqt_to_pdb() without return types