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geant4/source/processes/electromagnetic/dna/utils/include/G4DNAMolecularMaterial.hh
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//
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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 *
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// * 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 *
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// * This code implementation is the result of the scientific and *
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//
// $Id: G4DNAMolecularMaterial.hh 101354 2016-11-15 08:27:51Z gcosmo $
//
// Author: Mathieu Karamitros
//
// We would be very happy hearing from you, send us your feedback! :)
//
// In order for Geant4-DNA to be maintained and still open-source,
// article citations are crucial.
// If you use Geant4-DNA chemistry and you publish papers about your software,
// in addition to the general paper on Geant4-DNA:
//
// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157178
//
// we would be very happy if you could please also cite the following
// reference papers on chemistry:
//
// J. Comput. Phys. 274 (2014) 841-882
// Prog. Nucl. Sci. Tec. 2 (2011) 503-508
#ifndef G4DNAMolecularMaterial_HH
#define G4DNAMolecularMaterial_HH
#include "globals.hh"
#include "G4ios.hh"
#include <map>
#include <vector>
#include "G4VStateDependent.hh"
class G4Material;
class G4MolecularConfiguration;
struct CompareMaterial
{
// If the materials derives from a base material,
// it should be able to find the derived material using the base material.
bool operator()(const G4Material* mat1, const G4Material* mat2) const;
};
typedef std::map<const G4Material*, double, CompareMaterial> ComponentMap;
// G4DNAMolecularMaterial is initialized when G4ApplicationState == G4State_Idle
class G4DNAMolecularMaterial : public G4VStateDependent
{
public:
static G4DNAMolecularMaterial* Instance();
static void DeleteInstance();
void Initialize();
void Clear();
virtual G4bool Notify(G4ApplicationState requestedState);
//----------------------------------------------------------------------------
const std::vector<double>* GetDensityTableFor(const G4Material*) const;
const std::vector<double>* GetNumMolPerVolTableFor(const G4Material*) const;
inline const std::vector<ComponentMap>* GetMassFractionTable() const{
return fpCompFractionTable;
}
inline const std::vector<ComponentMap>* GetDensityTable() const{
return fpCompDensityTable;
}
//----------------------------------------------------------------------------
G4MolecularConfiguration* GetMolecularConfiguration(const G4Material*) const;
void SetMolecularConfiguration(const G4Material*,
G4MolecularConfiguration*);
void SetMolecularConfiguration(const G4Material*,
const G4String&);
void SetMolecularConfiguration(const G4String& materialName,
const G4String& molUserIF);
protected:
static G4DNAMolecularMaterial* fInstance;
G4DNAMolecularMaterial();
G4DNAMolecularMaterial(const G4DNAMolecularMaterial& right);
G4DNAMolecularMaterial& operator=(const G4DNAMolecularMaterial&);
virtual ~G4DNAMolecularMaterial();
void Create();
void InitializeNumMolPerVol();
void InitializeDensity();
void RecordMolecularMaterial(G4Material* parentMaterial,
G4Material* molecularMaterial,
G4double fraction);
void SearchMolecularMaterial(G4Material* parentMaterial,
G4Material* material,
double currentFraction);
void AddMaterial(const G4Material*, double fraction);
void PrintNotAMolecularMaterial(const char* methodName,
const G4Material* lookForMaterial) const;
std::vector<ComponentMap>* fpCompFractionTable;
std::vector<ComponentMap>* fpCompDensityTable;
std::vector<ComponentMap>* fpCompNumMolPerVolTable;
mutable std::map<const G4Material*, std::vector<double>*, CompareMaterial>
fAskedDensityTable;
mutable std::map<const G4Material*, std::vector<double>*, CompareMaterial>
fAskedNumPerVolTable;
mutable std::map<const G4Material*, bool, CompareMaterial> fWarningPrinted;
std::map<int /*Material ID*/,
G4MolecularConfiguration*> fMaterialToMolecularConf;
G4bool fIsInitialized;
size_t fNMaterials;
};
#endif // G4DNAMolecularMaterial_HH