I have an idea for supporting unlimited isotopes with no tables. Here is how it would work:
1. Isotopes are selected using an underscore followed by the isotope number and symbol: select _13C or _31P or _2H 2. Deuterium and tritium are special -- they can also be selected using select deuterium or tritium select _D or _T 3. Indicating no isotope selects for any isotope, explicit or not: select carbon select _C same as select _12C or _13C or _14C (So far, this is precisely what I have implemented) What's interesting is that these "predefined variables" are loaded just after the file is loaded. So one could just look in, say, auxiliaryInfo, and find a table that shows what few isotopes are explicit in the file. Then Jmol could construct whatever _nnXX tags it needs just for that file. In this way, we don't need any table for isotopes. What about color? Could that be done automatically? I think so. Except for H/D/T, which are hardwired, here's my suggestion: Anytime an isotope is indicated, we take the element's color and darken it a bit, keeping the same ratio of RGB. Explicitly labeled 12C would be slightly darker than unlabeled C; 13C would be a bit darker still. Should I experiment with this idea? Bob D and T can be selected using _D and _T ------------------------------------------------------------------------- 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
