How to cast Molecule object to MoleculeGraph?

Hi,

I want to call the clean method from the chemaxon.calculations.clean.Cleaner class. This method needs as the first parameter a MoleculeGraph. But in my code I only have a Molecule object.

Question: How can I cast the Molecule object to a MoleculeGraph object?

 

hope someone can help.

Best regards

Hans-Juergen

Hi,

Because the chemaxon.struc.Molecule extends from the chemaxon.struc.MoleculeGraph, you can use it in the chemaxon.calculations.clean.Cleaner class.

Janos

Thanks for your reply. I solved the same problem in the solution you mentioned, and it turns out fine.