Hi Greg, I am trying to use your function to calculate Balaban index J:
doubel dResult = RDKit::MolOps::computeBalabanJ(*mol, true, true, 0, false) and getting linker problems (see enclosed file). Probably need to #include some files? Can you help please? Regards, Evgueni
Error 7 error LNK2019: unresolved external symbol "void __cdecl LaEigSolve(class LaSymmMatDouble const &,class LaVectorDouble &)" (?LaEigSolve@@YAXABVLaSymmMatDouble@@AAVLaVectorDouble@@@Z) referenced in function "class boost::tuples::tuple<double,double,double,struct boost::tuples::null_type,struct boost::tuples::null_type,struct boost::tuples::null_type,struct boost::tuples::null_type,struct boost::tuples::null_type,struct boost::tuples::null_type,struct boost::tuples::null_type> __cdecl RDKit::MolOps::computeDiscriminators(double *,int,int)" (?computediscriminat...@molops@RDKit@@ya?av?$tu...@nnnunull_type@tup...@boost@@u...@u123@u...@u123@u...@u123@@tup...@boost@@pa...@z) libGraphMol.lib Error 8 error LNK2001: unresolved external symbol "private: static int * LaLowerTriangMatDouble::info_" (?in...@lalowertriangmatdouble@@0PAHA) libGraphMol.lib Error 9 error LNK2019: unresolved external symbol "public: __thiscall LaGenMatDouble::LaGenMatDouble(double *,int,int)" (??0LaGenMatDouble@@q...@panhh@Z) referenced in function "public: __thiscall LaLowerTriangMatDouble::LaLowerTriangMatDouble(double *,int,int)" (??0LaLowerTriangMatDouble@@q...@panhh@Z) libGraphMol.lib Error 10 error LNK2019: unresolved external symbol "public: virtual __thiscall LaGenMatDouble::~LaGenMatDouble(void)" (??1LaGenMatDouble@@u...@xz) referenced in function "public: __thiscall LaLowerTriangMatDouble::~LaLowerTriangMatDouble(void)" (??1LaLowerTriangMatDouble@@q...@xz) libGraphMol.lib Error 11 error LNK2019: unresolved external symbol "public: __thiscall LaGenMatDouble::LaGenMatDouble(int,int)" (??0LaGenMatDouble@@q...@hh@Z) referenced in function "public: __thiscall LaVectorDouble::LaVectorDouble(int)" (??0LaVectorDouble@@q...@h@Z) libGraphMol.lib