> Use specialized CompileAutomorphismQuery again since it is much faster. It > wasn't working before since it was using unmasked symmetry classes which are > obviously different leading to incorrect matches (or no matches at all in > most cases)
Wow. That went from a timeout (>1500 s) for the align test to 0.47s on my Mac. One test failure down. :-) Cheers, -Geoff ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
