Hi, is there a simple way to get the number of valence electrons of an atom, given it's formal charge?
It does not seem to be contained in the atom configuration file (chemicalElements.xml). One way might be to get the period of the element and determine the number of electrons in the valence shell - but this seems like a very roundabout way to go about it. Regarding the elemental configuration file - we really need to update it to the BO version. This means dropping one (or two) tags from the CDK version (what is the utility of the cdk:chemicalSerie entry?). If nobody has any objections I will do this over the next few days. ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Q: What's purple and commutes? A: An abelian grape. ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
