Hi, On Sun, Mar 20, 2011 at 12:30 AM, andi <ad...@mizzou.edu> wrote: > I guess i spoke too soon. For some reason it cannot find the object from > where I'm calling it from. It says > > > > "QueryAtom::QueryAtom()", referenced from: > Molecules::loadFPMoleculesWithContentsOfFile(char const*) > in Molecule.o > ld: symbol(s) not found for architecture x86_64 > > Any idea what might be causing this?
Yes, there is no constructor that takes no arguments. (i.e. "QueryAtom queryAtom;" will not work unless you provide the QueryAtom() constructor) However, If you change the CompileMoleculeQuery signature to this, everything should work: static OBQuery* CompileMoleculeQuery(OBMol *mol, const OBBitVec &mask = OBBitVec()) { ... } There are two changes: 1. The function is now static 2. a default argument for the second argument is provided Since the new version is static, the code for calling the function looks like: OBQuery *query = QueryAtom::CompileMoleculeQuery(mol); Tim > -Andi > > -- > View this message in context: > http://forums.openbabel.org/Isomorphism-between-cyclo-pentane-and-pentane-tp3389855p3390410.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Colocation vs. Managed Hosting > A question and answer guide to determining the best fit > for your organization - today and in the future. > http://p.sf.net/sfu/internap-sfd2d > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss