Import Geant4 10.3.0 source tree

2016-12-09 12:35:28 +01:00
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+//
+// ********************************************************************
+// * License and Disclaimer                                           *
+// *                                                                  *
+// * The  Geant4 software  is  copyright of the Copyright Holders  of *
+// * the Geant4 Collaboration.  It is provided  under  the terms  and *
+// * conditions of the Geant4 Software License,  included in the file *
+// * LICENSE and available at  http://cern.ch/geant4/license .  These *
+// * include a list of copyright holders.                             *
+// *                                                                  *
+// * Neither the authors of this software system, nor their employing *
+// * institutes,nor the agencies providing financial support for this *
+// * work  make  any representation or  warranty, express or implied, *
+// * regarding  this  software system or assume any liability for its *
+// * use.  Please see the license in the file  LICENSE  and URL above *
+// * for the full disclaimer and the limitation of liability.         *
+// *                                                                  *
+// * This  code  implementation is the result of  the  scientific and *
+// * technical work of the GEANT4 collaboration.                      *
+// * By using,  copying,  modifying or  distributing the software (or *
+// * any work based  on the software)  you  agree  to acknowledge its *
+// * use  in  resulting  scientific  publications,  and indicate your *
+// * acceptance of all terms of the Geant4 Software license.          *
+// ********************************************************************
+//
+//
+//
+//
+//---------------------------------------------------------------
+//
+// G4AtomicBond
+//
+// Class Description:
+//
+
+
+#ifndef G4AtomicBond_H
+#define G4AtomicBond_H 1
+
+#include "globals.hh"
+#include "G4Element.hh"
+
+class G4AtomicBond
+{
+public:
+    enum theBondType {Ionic=0, Covalent=1, Metallic=2, NA=-1 };
+
+    G4AtomicBond(theBondType aType,
+                 G4Element* firstAtomKind,
+                 G4int firstAtomNumber,
+                 G4Element* secondAtomKind,
+                 G4int secondAtomNumber);
+    
+    virtual ~G4AtomicBond();
+    
+    //
+    // The indexes of the two atoms connected by the bond are stored
+    // theFirstAtomKind is the index in the vector of G4Elements in the array
+    // and theFirstAtomNumber is the index in the vector of G4ThreeVector in
+    // the G4CrystalLattice. For the second atom theSecondAtomKind and
+    // theSecondAtomNumber are used.
+    //
+private:
+    G4Element* theFirstAtomKind;
+    G4int theFirstAtomNumber;
+
+    G4Element* theSecondAtomKind;
+    G4int theSecondAtomNumber;
+
+public:
+    inline G4Element* GetFirstAtomKind() const {return theFirstAtomKind;};
+    void SetFirstAtomKind(G4Element* aElement)  {theFirstAtomKind=aElement;};
+
+    inline G4int GetFirstAtomNumber() const {return theFirstAtomNumber;};
+    void SetFirstAtomNumber(G4int aInt)  {theFirstAtomNumber=aInt;};
+
+    inline G4Element* GetSecondAtomKind() const {return theSecondAtomKind;};
+    void SetSecondAtomKind(G4Element* aElement)  {theSecondAtomKind=aElement;};
+    
+    inline G4int GetSecondAtomNumber() const {return theSecondAtomNumber;};
+    void SetSecondAtomNumber(G4int aInt)  {theSecondAtomNumber=aInt;};
+
+    //
+    // theType stores which kind of bond is the G4AtomicBond object
+    // there are three types: Ionic, Covalent and Metallic
+    // and they are enumerate in the theBondType enum.
+private:
+    theBondType theType;
+
+public:
+    inline theBondType GetType() const {return theType;};
+    void SetType(theBondType aType)  {theType=aType;};
+
+    //
+    // theAromaticity stores if the bond is aromatic.
+    //
+private:
+    G4bool theAromaticity;
+
+public:
+    inline G4bool GetAromaticity() const {return theAromaticity;};
+    void SetAromaticity(G4bool aBool)  {theAromaticity=aBool;};
+
+    
+};
+
+#endif
+