Observation: specifically with a certain Spartan file that has vibrations, on a Mac it appears missing bonds -- with bonds only in the last vibrational set; PCs show now such problem.
Problem: In transferring atoms from the Adapter to Frame we use a (supposedly) "unique identifier" -- namely the atom Object itself. Yes, well, guess what? It's not unique. Apparently when we went to Point3fi for both atoms in the Adapter and atoms in Frame a very subtle difference between these machines arose. In this particular file -- well, anything with vibrations, we clone the atoms for each next set of vibrations. The coordinates are the same, so APPARENTLY Java on a Mac picks up the fact that it is a Point3f and not that it is an atom. The "unique identifier" is not at all unique, and the bond "unique identifier" lookup into the atom hash table only finds the last-entered set of atoms. Unbelievable! Solution: just identify the atoms with atom.atomIndex, bond.atomIndex1, and bond.atomIndex2. Arrgh. All night! Bob ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
