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.          *
+// ********************************************************************
+//
+//
+// $Id: G4CrystalExtension.hh 94016 2015-11-05 10:14:49Z gcosmo $
+//
+
+//---------------------------------------------------------------------------
+//
+// ClassName:   G4CrystalExtension
+//
+// Description: Contains crystal properties
+//
+// Class description:
+//
+// Extension of G4Material for the management of a crystal
+// structure. It has to be attached to a G4ExtendedMaterial
+// in order to instantiate a G4LogicalCrystalVolume.
+//
+
+//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
+
+// 21-04-16, created by E.Bagli
+
+//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
+
+#ifndef G4CrystalExtension_HH
+#define G4CrystalExtension_HH 1
+
+#include "G4VMaterialExtension.hh"
+#include "G4CrystalAtomBase.hh"
+#include "G4AtomicBond.hh"
+#include "G4CrystalUnitCell.hh"
+#include "G4NistManager.hh"
+#include <vector>
+
+//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
+
+class G4CrystalExtension : public G4VMaterialExtension
+{
+public:  // with description
+    //
+    // Constructor to create a material
+    //
+    G4CrystalExtension(G4Material* ,const G4String& name = "crystal");
+    
+    ~G4CrystalExtension();
+
+    void Print() const {;};
+private:
+    G4Material* fMaterial;
+    
+public:
+    G4Material* GetMaterial() {return fMaterial;};
+    void SetMaterial(G4Material* aMat) {fMaterial = aMat;};
+    
+    
+    //
+    // Crystal cell description, i.e. space group
+    // and cell parameters
+    //
+
+private:
+    G4CrystalUnitCell* theUnitCell;
+public:
+    inline void SetUnitCell(G4CrystalUnitCell* aUC) {theUnitCell=aUC;}
+    inline G4CrystalUnitCell* GetUnitCell()
+        const {return theUnitCell;}
+    
+    //
+    // Elasticity and reduced elasticity tensors
+    //
+    
+public:
+    typedef G4double Elasticity[3][3][3][3];
+    typedef G4double ReducedElasticity[6][6];
+    
+protected:
+    Elasticity fElasticity;	    	    // Full 4D elasticity tensor
+    ReducedElasticity fElReduced;		    // Reduced 2D elasticity tensor
+    
+public:
+    const Elasticity& GetElasticity() const { return fElasticity; }
+    const ReducedElasticity& GetElReduced() const { return fElReduced; }
+    
+public:
+    G4double GetCijkl(G4int i, G4int j, G4int k, G4int l) const {
+        return fElasticity[i][j][k][l];
+    }
+    
+    // Reduced elasticity tensor: C11-C66 interface for clarity
+    void SetElReduced(const ReducedElasticity& mat);
+    
+    void SetCpq(G4int p, G4int q, G4double value);
+    G4double GetCpq(G4int p, G4int q) const { return fElReduced[p-1][q-1]; }
+
+    //
+    // Map of atom positions for each element
+    // The coordinate system is the unit cell
+    //
+private:
+    std::map<const G4Element*,G4CrystalAtomBase*> theCrystalAtomBaseMap;
+
+public:
+    G4CrystalAtomBase* GetAtomBase(const G4Element* anElement);
+    
+    void AddAtomBase(const G4Element* anElement,G4CrystalAtomBase* aBase){
+        theCrystalAtomBaseMap.insert(std::pair<const G4Element*,G4CrystalAtomBase*>(anElement,aBase));
+    }
+
+
+    G4CrystalAtomBase* GetAtomBase(G4int anElIdx){
+        return GetAtomBase(fMaterial->GetElement(anElIdx));
+    }
+
+    void AddAtomBase(G4int anElIdx,G4CrystalAtomBase* aLattice){
+        AddAtomBase(fMaterial->GetElement(anElIdx),aLattice);
+    }
+
+    //
+    // Get the position of all the atoms in the unit cell
+    // for a single element or all the elements
+    //
+    G4bool GetAtomPos(const G4Element* anEl, std::vector<G4ThreeVector>& vecout);
+    G4bool GetAtomPos(std::vector<G4ThreeVector>& vecout);
+    
+    G4bool GetAtomPos(G4int anElIdx, std::vector<G4ThreeVector>& vecout){
+        GetAtomPos(fMaterial->GetElement(anElIdx),vecout);
+        return true;
+    }
+
+    
+    //
+    // Structure factor calculations
+    // Eq. 46, Chapter 2 , Introduction to solid state physics, C. Kittel
+    //
+    G4complex ComputeStructureFactor(G4double kScatteringVector,
+                                     G4int h,
+                                     G4int k,
+                                     G4int l);
+    G4complex ComputeStructureFactorGeometrical(G4int h,
+                                                G4int k,
+                                                G4int l);
+    
+    //
+    // Bond between atoms. Each bond is mapped with two Elements
+    // and the number of the atoms in the corresponding G4CrystalBaseAtomPos
+    //
+    
+private:
+    std::vector<G4AtomicBond*> theAtomicBondVector;
+
+public:
+    void AddAtomicBond(G4AtomicBond* aBond) {theAtomicBondVector.push_back(aBond);};
+    G4AtomicBond* GetAtomicBond(G4int idx) {return theAtomicBondVector[idx];};
+    std::vector<G4AtomicBond*> GetAtomicBondVector() {return theAtomicBondVector;};
+    
+};
+
+//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
+
+#endif