On Sun, 2006-11-12 at 18:30 -0500, Rajarshi Guha wrote: > Hi, is there a simple way to get the number of valence electrons of an > atom, given it's formal charge?
I just 'discovered' the AtomValenceDescriptor :( However it would (intuitively) seem that the number of valence electrons of an atom should be a method of IAtom and not a descriptor Does it still make sense that the valence electron count should go into chemicalElements.xml and also provide a method to IAtom rather than be specified by hand in the descriptor? ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- There's no problem so bad that you can't add some guilt to it to make it worse. -Calvin ------------------------------------------------------------------------- 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
