Hi everyone, I am performing a molecule isomorphism and I am subclassing OBQueryAtom and OBQueryBond. The case that i'd like to handle is where it matches only the atom types and bonds must be same order and both bonds be in a ring, or both bonds not be in a ring.
After subclassing OBQueryAtom and OBQueryBond for some reason it's still not finding a match between the two molecules and I can't really see where the problem may be. The two molecules are located above this reply and i've included the code at this link. http://pastebin.com/y877Vivb Thanks in advance, Andi -- View this message in context: http://forums.openbabel.org/Isomorphism-between-cyclo-pentane-and-pentane-tp3389855p3392667.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
