After running few experiments, , the hexane no longer is matched with a cyclo-hexane, however I noticed there was no match between methane and 1-methane-cyclo-hexane.
The reason for this is because now we require for both atoms to match(part of cycle or non-cycle). See code above for reference. Is it possible to add extra conditions to check their bonds first, then the atoms? -Andi I've included the two molecules for visualization purposes http://forums.openbabel.org/file/n3391174/1-0.png http://forums.openbabel.org/file/n3391174/1-1.png -- View this message in context: http://forums.openbabel.org/Isomorphism-between-cyclo-pentane-and-pentane-tp3389855p3391174.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
