Could not create a water molecule with the SMILES structure generator

Automated report

This issue was created with the app's automated bug reporting feature. Attached to this issue is the full traceback as well as an environment fingerprint that contains information about the operating system as well as all installed libraries.

Additional comments (optional):

I tried to create a water molecule with the SMILES structure generator.

Attachments

Traceback

```python-traceback ArgumentError Traceback (most recent call last) ~/.local/lib/python3.7/site-packages/aiidalab_widgets_base/structures.py in _on_button_pressed(self, change) 718 self.SPINNER 719 ) # font-size:20em; --> 720 self.structure = self.mol_from_smiles(self.smiles.value) 721 self.output.value = "" 722 ~/.local/lib/python3.7/site-packages/aiidalab_widgets_base/structures.py in mol_from_smiles(self, smile, steps) 705 """Convert SMILES to ase structure try rdkit then pybel""" 706 try: --> 707 return self._rdkit_opt(smile, steps) 708 except ValueError: 709 return self._pybel_opt(smile, steps) ~/.local/lib/python3.7/site-packages/aiidalab_widgets_base/structures.py in _rdkit_opt(self, smile, steps) 693 smile = smile.replace("[", "").replace("]", "") 694 mol = Chem.MolFromSmiles(smile) --> 695 mol = Chem.AddHs(mol) 696 697 AllChem.EmbedMolecule(mol, maxAttempts=20, randomSeed=42) ArgumentError: Python argument types in rdkit.Chem.rdmolops.AddHs(NoneType) did not match C++ signature: AddHs(RDKit::ROMol mol, bool explicitOnly=False, bool addCoords=False, boost::python::api::object onlyOnAtoms=None, bool addResidueInfo=False) ```

Environment fingerprint

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By submitting this issue I confirm that I am aware that this information can potentially be used to determine what kind of calculation was performed at the time of error.

aiidalab / aiidalab-qe