PeriodicTable.h Source File

00001 /***************************************************************************
00002  * RCS INFORMATION:
00003  *
00004  *      $RCSfile: PeriodicTable.h,v $
00005  *      $Author: johns $       $Locker:  $             $State: Exp $
00006  *      $Revision: 1.3 $       $Date: 2008/03/27 19:38:22 $
00007  *
00008  ***************************************************************************/
00009 
00010 /*
00011  * periodic table of elements and helper functions to convert
00012  * ordinal numbers to labels and back.
00013  *
00014  * 2002-2008 axel.kohlmeyer@theochem.ruhr-uni-bochum.de, vmd@ks.uiuc.edu
00015  */
00016 
00017 const char *get_pte_label(const int idx);
00018 float get_pte_mass(const int idx);
00019 float get_pte_vdw_radius(const int idx);
00020 int get_pte_idx_from_string(const char *label);
00021