Thanks Greg - I just missed that Regards, Evgueni
2009/4/6 Greg Landrum <[email protected]> > Dear Evgueni, > > On Mon, Apr 6, 2009 at 1:48 PM, Evgueni Kolossov <[email protected]> > wrote: > > > > Thank you very much but in this case to compare we need somehow to covert > it > > back when extracting from the database. > > How to do this? > > If you mean convert it back into a bit vector, that's the second part > of my message below: > >> The various bit vector classes have constructors that accept these > >> strings: > >> ExplicitBitVect bv2(pkl); > > Alternatively, if you already have a bit vector and you want to > re-initialize it, you can use bv2.InitializeFromText > > -greg > > > > > 2009/4/6 Greg Landrum <[email protected]> > >> > >> Dear Evgueni, > >> > >> Fingerprints can be converted into a binary string using their > >> ToString() method: > >> std::string pkl=bv.ToString(); > >> The various bit vector classes have constructors that accept these > >> strings: > >> ExplicitBitVect bv2(pkl); > >> > >> The strings from ToString() are suitable for storing in databases > >> (there's a lot of this in the python-based RDKit DbCLI code). > >> -greg > >> > >> On Mon, Apr 6, 2009 at 10:17 AM, Evgueni Kolossov <[email protected]> > >> wrote: > >> > Dear Greg, > >> > > >> > Can you suggest the way to write fingerprints into database? Say, we > can > >> > have ExplicitBitVect *ev = RDKFingerprintMol(.......). Now I need > write > >> > it > >> > into database (BLOB). So, do I need to convert ExplicitBitVect to > binary > >> > stream or something? > >> > > >> > Regards, > >> > Evgueni > >> > > >> > > >> > > > > > > > > > > > > ------------------------------------------------------------------------------ > > > > _______________________________________________ > > Rdkit-discuss mailing list > > [email protected] > > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > > >
