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 > >
