In C++ you don't have to, RWMol can be sent to any function that takes an ROMol.
Actually, this is true now in Python as well. In C++ if you really need to copy the molecule: ROMol mol = new ROMol( *rwmol ); But you really don't have to. ---- Brian Kelley > On Apr 10, 2016, at 6:27 PM, Yingfeng Wang <ywang...@gmail.com> wrote: > > In python, I have GetMol() for Chem.EditableMol. I can also use > Chem.GetMolFrags(...). Could you please help me to know how to get similar > functions in C++? > > For example, I remove two bonds in an RWMol object, how do I use GetMol() and > GetMolFrags(...) in C++? > > Thanks. > > Yingfeng > ------------------------------------------------------------------------------ > Find and fix application performance issues faster with Applications Manager > Applications Manager provides deep performance insights into multiple tiers of > your business applications. It resolves application problems quickly and > reduces your MTTR. Get your free trial! http://pubads.g.doubleclick.net/ > gampad/clk?id=1444514301&iu=/ca-pub-7940484522588532 > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Find and fix application performance issues faster with Applications Manager Applications Manager provides deep performance insights into multiple tiers of your business applications. It resolves application problems quickly and reduces your MTTR. Get your free trial! http://pubads.g.doubleclick.net/ gampad/clk?id=1444514301&iu=/ca-pub-7940484522588532 _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
