Re: [Rdkit-discuss] Get num of heavy atoms returns incorrect value

[Lukas P. <lp...@eb...>]

Hi Paolo,

 

It did. In fact I got confused by the documentation and completely ignored that function. Should update pointer to the documentation on my end, as I somehow landed here: http://www.rdkit.org/docs-beta/api/rdkit.Chem.rdchem.Mol-class.html#GetNumAtoms and that says that onlyHeavy (now explicitOnly) returns heavy atoms.

 

Thanks

Lukas

 

 

From: Paolo Tosco <pao...@gm...>
Date: Wednesday, 1 May 2019 at 15:32
To: Lukas Pravda <lp...@eb...>, RDKIT mailing list <rdk...@li...>
Subject: Re: [Rdkit-discuss] Get num of heavy atoms returns incorrect value

 

mol.GetNumHeavyAtoms