Updated RDKit sys and RDKit rs so that mol_to_smiles and romol.as_smiles return a result
Added new test in rdkit sys capturing a negative example i.e. mol_to_smiles returning an err
Updated examples and tests where mol_to_smiles and as_smiles are used, call unwrap on results
Run cargo fmt
Noted that the tests for descriptors in both rdkit-sys and rdkit were not working on my local machine using conda RDKit (2022.09.1) before or after my changes. Otherwise, all tests are passing.
Summary of changes / checks:
mol_to_smilesandromol.as_smilesreturn a resultNoted that the tests for descriptors in both rdkit-sys and rdkit were not working on my local machine using conda RDKit (2022.09.1) before or after my changes. Otherwise, all tests are passing.