Hi,
I'm trying to compile this source code:
#include <RDGeneral/Invariant.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/Substruct/SubstructMatch.h>
#include <GraphMol/Depictor/RDDepictor.h>
#include <GraphMol/FileParsers/FileParsers.h>
#include <GraphMol/ChemReactions/Reaction.h>
#include <GraphMol/ChemReactions/ReactionParser.h>
#include <GraphMol/ChemReactions/ReactionPickler.h>
#include <GraphMol/Fingerprints/Fingerprints.h>
#include <GraphMol/Fingerprints/AtomPairs.h>
#include <DataStructs/ExplicitBitVect.h>
#include <RDGeneral/RDLog.h>
#include <vector>
#include <algorithm>
using namespace RDKit;
...
ROMol *MolAux1, *MolAux2;
ExplicitBitVect *fp1, *fp2;
for (i = 0; i < countc; i++)
{
MolAux1 = SmilesToMol(molsr[j].smi);
fp1 = RDKFingerprintMol(*MolAux1);
for (j = 0; j < countr; j++)
{
MolAux2 =
SmilesToMol(molsc[i].smi);
fp2 =
RDKFingerprintMol(*MolAux2);
sim = TanimotoSimilarity(*fp1,
*fp2);
}
}
...
But I'm getting the following error message: "error: no matching function for
call to 'TanimotoSimilarity(ExplicitBitVect&, ExplicitBitVect&)'"
Any clue what's going on?
Thank you very much,
Gonzalo
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