Ambiguous documentation

Hi,





Is this-


MolHandler mh = new MolHandler(molstr);


mh.addHydrogens();


Molecule mol = mh.getMolecule()





the same as this?


Molecule mol = MolImporter.importMol(molstr);


mol.hydrogenize(true);





Will the resulting molecule be chemically identical in both cases assuming molstr is identical?





The confusion is caused by the documentation of MolHandler.addHydrogens() and of MoleculeGraph.hydrogenize().





Doc for addHydrogens states-

Quote:

Adds the implicit Hydrogen atoms to the molecule. The coordinates of the H atoms set to 0.

Doc for hydrogenize states-

Quote:

Implicit/explicit Hydrogen conversion. Adds explicit H atoms instead of the current implicit ones, or removes explicit H atoms and increases the number of implicit hydrogens.

Intuitively, I feel both the methods do the same thing, but documentation for addHydrogens is not as clear as the documentation for hydrogenize. Is my intuition right?





Thanks,


Sarav

Hi,





They are the same indeed.





The API documentation of MolHandler.addHydrogens() will


be updated in the next version.





Thank you for pointing this out for us.