Hi All,
I've run into a few more problems with Fingerprinting, I'm trying to create a database of these fingerprints, I've tried a few different methods to write the fingerprints
SparseIntVect<boost::uint32_t> *finger;
mol=SmilesToMol(line);
finger = MorganFingerprints::getFingerprint(*mol, 2);
cout << finger.toString() << endl;
Which returns
Fingerprint.cpp:49: error: request for member ‘toString’ in ‘finger’, which is of non-class type ‘RDKit::SparseIntVect<unsigned int>*’
Then as a fix i tried intreated over the entries in the vector however firstly I can't use the getLength function because of the same error above, and when I put in an arbitrary depth and managed to get some output, however it seemed only to output a huge amount of zero's
Thanks,
Nick
The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP.
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