elements.h

/****************************************************************************************
                                          elements.h 
                                        -------------
    copyright            : (C) 2006 Jean-Luc Perret - Pierre Mahé
    email                : jean-luc.perret@unine.ch - pierre.mahe@ensmp.fr
 ***************************************************************************************/

/****************************************************************************************
 *                                                                                      *
 *      This program is free software; you can redistribute it and/or                   *
 *      modify it under the terms of the GNU Lesser General Public                      *
 *      License as published by the Free Software Foundation; either                    *
 *      version 2.1 of the License, or (at your option) any later version.              *
 *                                                                                      *
 *      This program is distributed in the hope that it will be useful,                 *
 *      but WITHOUT ANY WARRANTY; without even the implied warranty of                  *
 *      MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU               *
 *      Lesser General Public License for more details.                                 *
 *                                                                                      *
 *      You should have received a copy of the GNU Lesser General Public                *
 *      License along with this library; if not, write to the Free Software             *
 *      Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA      *
 *                                                                                      *
 ****************************************************************************************/


#ifndef ELEMENTS_H
#define ELEMENTS_H

#include <iostream>
#include <fstream>
#include <vector>
#include <stdlib.h>
#include <math.h>

//using namespace std;

#include <datacontainer.h>
#include <atom.h>
#include <stringutils.h>

class Elements : public DataContainer  {
public:



        Elements( string aFileName, string aGramAtomFileName );

        ~Elements();

        Atom* operator[](string aSymbol);

        Atom* getElement(string aSymbol);

        void loadGramAtoms(string filename);

        string getAtomKernelName();

        void loadDefinition( string aFilename );

        uint numElements(){ return( periodicTable.size() ); }





// ****************************** //
// **** DEPRECATED FUNCTIONS **** //
// ****************************** //
        //void describe();
        //Elements();



// SECOND TIMES PUBLIC ??????
//public:


        float gramAtom[NUMELEMENTS][NUMELEMENTS];

        string gramAtomName;



private :

        map<string, Atom*> periodicTable;



        
};



#endif

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