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PeriodicTable.h

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00001 /***************************************************************************
00002 * RCS INFORMATION:
00003 *
00004 * $RCSfile: PeriodicTable.h,v $
00005 * $Author: johns $ $Locker: $ $State: Exp $
00006 * $Revision: 1.3 $ $Date: 2008年03月27日 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