Thanks Greg. After adding the include I get this new message: /tmp/ccoW0TaZ.o: In function `main':
taniRD.cpp:(.text+0x8fc): undefined reference to `RDKit::RDKFingerprintMol(RDKit::ROMol const&, unsigned int, unsigned int, unsigned int, unsigned int, bool, double, unsigned int, bool)' taniRD.cpp:(.text+0xc51): undefined reference to `RDKit::RDKFingerprintMol(RDKit::ROMol const&, unsigned int, unsigned int, unsigned int, unsigned int, bool, double, unsigned int, bool)' I'm using g++ -o tanird taniRD.cpp -I$RDBASE/Code -I$RDBASE/Extern -L$RDBASE/lib -lChemReactions -lFileParsers -lSmilesParse -lDepictor -lSubstructMatch -lGraphMol -lDataStructs -lRDGeometryLib -lRDGeneral -I/GWD/schem/apps/rdkit/build-env/include to compile. Thanks, Gonzalo -----Original Message----- From: Greg Landrum [mailto:[email protected]] Sent: 14 April 2012 16:12 To: Gonzalo Colmenarejo-Sanchez Cc: [email protected] Subject: Re: [Rdkit-discuss] tanimoto similarity calculation for topological fp Dear Gonzalo, On Sat, Apr 14, 2012 at 3:06 PM, Gonzalo Colmenarejo-Sanchez <[email protected]> wrote: > > But I'm getting the following error message: "error: no matching function > for call to 'TanimotoSimilarity(ExplicitBitVect&, ExplicitBitVect&)'" you need to #include <DataStructs/BitOps.h> -greg ------------------------------------------------------------------------------ Better than sec? Nothing is better than sec when it comes to monitoring Big Data applications. Try Boundary one-second resolution app monitoring today. Free. http://p.sf.net/sfu/Boundary-dev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
