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element.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemistry Utils
00005  * element.h 
00006  *
00007  * Copyright (C) 2002-2003
00008  *
00009  * Developed by Jean Bréfort <jean.brefort@ac-dijon.fr>
00010  *
00011  * This library is free software; you can redistribute it and/or
00012  * modify it under the terms of the GNU Lesser General Public
00013  * License as published by the Free Software Foundation; either
00014  * version 2.1 of the License, or (at your option) any later version.
00015  *
00016  * This library is distributed in the hope that it will be useful,
00017  * but WITHOUT ANY WARRANTY; without even the implied warranty of
00018  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
00019  * Lesser General Public License for more details.
00020  *
00021  * You should have received a copy of the GNU Lesser General Public
00022  * License along with this library; if not, write to the 
00023  * Free Software Foundation, Inc., 59 Temple Place - Suite 330,
00024  * Boston, MA  02111-1307, USA.
00025  */
00026 
00027 #ifndef GCU_ELEMENT_H
00028 #define GCU_ELEMENT_H
00029 
00030 #include <glib.h>
00031 #include <string>
00032 #include <vector>
00033 #include "chemistry.h"
00034 
00035 using namespace std;
00036 
00037 class EltTable;
00038 
00042 namespace gcu
00043 {
00044 
00051 class Element
00052 {
00053 friend class EltTable;
00054 private:
00061         Element(int Z, const char* Symbol);
00062         virtual ~Element();
00063 
00064 public:
00069         static const gchar* Symbol(gint Z);
00077         static bool BestSide(gint Z);
00082         static gint Z(const gchar* symbol);
00087         static Element* GetElement(gint Z);
00092         static Element* GetElement(const gchar* symbol);
00109         static bool GetRadius(GcuAtomicRadius* radius);
00122         static bool GetElectronegativity(GcuElectronegativity* en);
00130         static unsigned GetMaxBonds(gint Z);
00131 
00135         int GetZ() {return m_Z;}
00139         const char* GetSymbol() {return m_Symbol;}
00144         char GetDefaultValence() {return m_DefaultValence;}
00150         unsigned GetMaxBonds() {return m_MaxBonds;}
00156         bool GetBestSide() {return m_BestSide;}
00161         double* GetDefaultColor() {return m_DefaultColor;}
00165         const char* GetName() {return name.c_str();}
00170         const GcuAtomicRadius** GetRadii();
00175         const GcuElectronegativity** GetElectronegativities();
00176         
00177 private:
00178         unsigned char m_Z;
00179         char m_Symbol[4];
00180         char m_DefaultValence;
00181         unsigned char m_MaxBonds;
00182         bool m_BestSide;
00183         double m_DefaultColor[3];
00184         string name;
00185         vector<GcuAtomicRadius*> m_radii;
00186         vector<GcuElectronegativity*> m_en;
00187 };
00188 
00189 } // namespace gcu
00190 
00191 #endif // GCU_ELEMENT_H

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