G4NistManager.hh

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// $Id: G4NistManager.hh 105820 2017-08-22 08:03:26Z gcosmo $
//
// -------------------------------------------------------------------
//
// GEANT4 Class header file
//
// File name:     G4NistManager
//
// Author:        Vladimir Ivanchenko
//
// Creation date: 23.12.2004
//
// Modifications:
// 27.02.06 V.Ivanchneko add GetAtomicMassAmu and ConstructNewGasMaterial
// 11.05.06 V.Ivanchneko add warning flag to FindMaterial method
// 17.10.06 V.Ivanchneko add methods: GetAtomicMass, GetNistElementNames,
//                       GetNistMaterialNames
// 02.05.07 V.Ivanchneko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes 
// 28.07.07 V.Ivanchneko make simple methods inline
// 28.10.07 V.Ivanchneko add state, T, P to maetrial build
// 29.04.10 V.Ivanchneko add GetMeanIonisationEnergy method 
// 01.11.10 V.Ivanchneko add G4Pow for fast computations 
// 09.02.12 P.Gumplinger add ConstructNewIdealGasMaterial
//
// Class Description:
//
// A utility static class
//

// -------------------------------------------------------------------
//
// Class Description:
//
// Element data from the NIST DB on Atomic Weights and Isotope Compositions
// http://physics.nist.gov/PhysRefData/Compositions/index.html
//
// -------------------------------------------------------------------
//

#ifndef G4NistManager_h
#define G4NistManager_h 1

#include <vector>
#include <CLHEP/Units/PhysicalConstants.h>

#include "globals.hh"
#include "G4Material.hh"
#include "G4NistElementBuilder.hh"
#include "G4NistMaterialBuilder.hh"
#include "G4Pow.hh"
#include "G4Threading.hh"

class G4NistMessenger;

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

class G4NistManager
{

public:

  static G4NistManager* Instance();
  ~G4NistManager();

  // Get G4Element by index
  //
  inline G4Element* GetElement(size_t index) const;
  
  // Find or build G4Element by atomic number
  //
  inline G4Element* FindElement(G4int Z) const;
  inline G4Element* FindOrBuildElement(G4int Z, G4bool isotopes=true);
  
  // Find or build G4Element by symbol
  //
  inline G4Element* FindOrBuildElement(const G4String& symb, 
               G4bool isotopes=true);

  // Get number of elements
  //
  inline size_t GetNumberOfElements() const;

  // Get atomic number by element symbol
  //
  inline G4int GetZ(const G4String& symb) const;

  // Get atomic weight by element symbol - mean mass in units of amu of 
  // an atom with electron shell for the natural isotope composition 
  //
  inline G4double GetAtomicMassAmu(const G4String& symb) const;

  // Get atomic weight in atomic units - mean mass in units of amu of an atom 
  // with electron shell for the natural isotope composition 
  //
  inline G4double GetAtomicMassAmu(G4int Z) const;

  // Get mass of isotope without electron shell in Geant4 energy units 
  //
  inline G4double GetIsotopeMass(G4int Z, G4int N) const;

  // Get mass in Geant4 energy units of an atom of a particular isotope 
  // with the electron shell  
  //
  inline G4double GetAtomicMass(G4int Z, G4int N) const;

  // Get total ionisation energy of an atom
  //
  inline G4double GetTotalElectronBindingEnergy(G4int Z) const;

  // Get N for the first natural isotope
  //
  inline G4int GetNistFirstIsotopeN(G4int Z) const;

  // Get number of natural isotopes
  //
  inline G4int GetNumberOfNistIsotopes(G4int Z) const;

  // Get natural isotope abundance
  //
  inline G4double GetIsotopeAbundance(G4int Z, G4int N) const;

  // Print element by Z
  //
  inline void PrintElement(G4int Z) const;

  // Print element from internal DB by symbol, if "all" - print all elements
  //
  void PrintElement(const G4String&) const;

  // Print G4Element by name, if "all" - print all G4Elements
  //
  void PrintG4Element(const G4String&) const;  

  // Access to the vector of Geant4 predefined element names 
  //
  inline const std::vector<G4String>& GetNistElementNames() const;

  // Access mean ionisation energy for atoms (Z <= 98) by its index 
  // 
  inline G4double GetMeanIonisationEnergy(G4int Z) const;

  // Access nominal density by atomic number for simple materials and 
  // by the index for other NIST materials 
  //
  inline G4double GetNominalDensity(G4int Z) const;

  // Get G4Material by index 
  //
  inline G4Material* GetMaterial(size_t index) const;
  
  // Find or build a G4Material by name, from the Geant4 dataBase
  //
  inline G4Material* FindMaterial(const G4String& name) const; 
  inline G4Material* FindOrBuildMaterial(const G4String& name, 
           G4bool isotopes=true,
           G4bool warning=false);

  // Find or build a simple material via atomic number
  //
  inline G4Material* FindSimpleMaterial(G4int Z) const; 
  inline G4Material* FindOrBuildSimpleMaterial(G4int Z, 
                 G4bool warning=false);
  
  // Build G4Material with user defined name and density on base
  // of a material from Geant4 dataBase
  //
  G4Material* BuildMaterialWithNewDensity(const G4String& name,
                                          const G4String& basename, 
            G4double density = 0.0,
            G4double temp = NTP_Temperature,  
            G4double pres = CLHEP::STP_Pressure);  

  // Construct a G4Material from scratch by atome count
  // 
  inline G4Material* ConstructNewMaterial(
                const G4String& name,
          const std::vector<G4String>& elm,
          const std::vector<G4int>& nbAtoms,
          G4double dens, 
          G4bool isotopes=true,
          G4State   state    = kStateSolid,     
          G4double  temp     = NTP_Temperature,  
          G4double  pressure = CLHEP::STP_Pressure); 

  // Construct a G4Material from scratch by fraction mass
  // 
  inline G4Material* ConstructNewMaterial(
          const G4String& name,
          const std::vector<G4String>& elm,
          const std::vector<G4double>& weight,
          G4double dens, 
          G4bool isotopes=true,
          G4State   state    = kStateSolid,     
          G4double  temp     = NTP_Temperature,  
          G4double  pressure = CLHEP::STP_Pressure); 

  // Construct a gas G4Material from scratch by atome count
  // 
  inline G4Material* ConstructNewGasMaterial(const G4String& name,
               const G4String& nameNist,
               G4double temp, 
               G4double pres, 
               G4bool isotopes=true);

  // Construct an ideal gas G4Material from scratch by atom count
  //
  inline G4Material* ConstructNewIdealGasMaterial(
                                  const G4String& name,
                                  const std::vector<G4String>& elm,
                                  const std::vector<G4int>& nbAtoms,
                                  G4bool isotopes    = true,
                                  G4double  temp     = NTP_Temperature,
                                  G4double  pressure = CLHEP::STP_Pressure);
              
  // Get number of G4Materials
  //
  inline size_t GetNumberOfMaterials() const;
  
  inline G4int GetVerbose() const;

  void SetVerbose(G4int);

  // Print G4Material by name
  //
  void PrintG4Material(const G4String&) const;

  // Print predefined Geant4 materials:
  // "simple" - only pure materials in basic state (Z = 1, ..., 98)
  // "compound" - NIST compounds
  // "hep" - HEP materials and compounds
  // "bio" - bio-medical materials and compounds
  // "all" - all
  //
  inline void ListMaterials(const G4String&) const;

  // Access to the list of names of Geant4 predefined materials
  //
  inline const std::vector<G4String>& GetNistMaterialNames() const;

  // Fast computation of Z^1/3
  //
  inline G4double GetZ13(G4double Z) const;
  inline G4double GetZ13(G4int Z) const;

  // Fast computation of A^0.27 for natuaral abundances
  //
  inline G4double GetA27(G4int Z) const;

  // Fast computation of log(A)
  //
  inline G4double GetLOGZ(G4int Z) const;
  inline G4double GetLOGAMU(G4int Z) const;

private:

  explicit G4NistManager();
  static G4NistManager* instance;

  G4Pow* g4pow;
  G4double POWERA27[101];
  G4double LOGAZ[101];
  
  std::vector<G4Element*>   elements;
  std::vector<G4Material*>  materials;
  
  size_t   nElements;
  size_t   nMaterials;
  
  G4int    verbose;

  G4NistElementBuilder*    elmBuilder;
  G4NistMaterialBuilder*   matBuilder;
  G4NistMessenger*         messenger;

#ifdef G4MULTITHREADED
  static G4Mutex nistManagerMutex;
#endif
};

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline size_t G4NistManager::GetNumberOfMaterials() const
{
  return nMaterials;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Element* G4NistManager::GetElement(size_t index) const
{
  const G4ElementTable* theElementTable = G4Element::GetElementTable();
  return (index < theElementTable->size()) ? (*theElementTable)[index] : nullptr; 
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4Element* G4NistManager::FindElement(G4int Z) const
{
  return elmBuilder->FindElement(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4Element* G4NistManager::FindOrBuildElement(G4int Z, G4bool isotopes)
{
  return elmBuilder->FindOrBuildElement(Z, isotopes);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline
G4Element* G4NistManager::FindOrBuildElement(const G4String& symb,
                                                   G4bool isotopes)
{
  return elmBuilder->FindOrBuildElement(symb, isotopes);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline size_t G4NistManager::GetNumberOfElements() const
{ 
  return nElements;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4int G4NistManager::GetZ(const G4String& symb) const
{
  return elmBuilder->GetZ(symb);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetAtomicMassAmu(const G4String& symb) const
{
  return elmBuilder->GetAtomicMassAmu(symb);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetAtomicMassAmu(G4int Z) const
{
  return elmBuilder->GetAtomicMassAmu(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4double G4NistManager::GetIsotopeMass(G4int Z, G4int N) const
{
  return elmBuilder->GetIsotopeMass(Z, N);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4double G4NistManager::GetAtomicMass(G4int Z, G4int N) const
{
  return elmBuilder->GetAtomicMass(Z, N);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4double G4NistManager::GetTotalElectronBindingEnergy(G4int Z) const
{
  return elmBuilder->GetTotalElectronBindingEnergy(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4double G4NistManager::GetIsotopeAbundance(G4int Z, G4int N) const
{
  return elmBuilder->GetIsotopeAbundance(Z, N);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4int G4NistManager::GetNistFirstIsotopeN(G4int Z) const
{
  return elmBuilder->GetNistFirstIsotopeN(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4int G4NistManager::GetNumberOfNistIsotopes(G4int Z) const
{
  return elmBuilder->GetNumberOfNistIsotopes(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
const std::vector<G4String>& G4NistManager::GetNistElementNames() const
{
  return elmBuilder->GetElementNames();
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetMeanIonisationEnergy(G4int Z) const
{
  return matBuilder->GetMeanIonisationEnergy(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetNominalDensity(G4int Z) const
{
  return matBuilder->GetNominalDensity(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline void G4NistManager::PrintElement(G4int Z) const
{
  elmBuilder->PrintElement(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Material* G4NistManager::GetMaterial(size_t index) const
{
  const G4MaterialTable* theMaterialTable = G4Material::GetMaterialTable();
  return (index < theMaterialTable->size()) ? (*theMaterialTable)[index] : nullptr;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4int G4NistManager::GetVerbose() const
{
  return verbose;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline
G4Material* G4NistManager::FindMaterial(const G4String& name) const
{
  return matBuilder->FindMaterial(name);  
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline
G4Material* G4NistManager::FindOrBuildMaterial(const G4String& name,
                 G4bool isotopes,
                 G4bool warning)
{
  return matBuilder->FindOrBuildMaterial(name, isotopes, warning);  
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4Material* G4NistManager::FindSimpleMaterial(G4int Z) const
{
  return matBuilder->FindSimpleMaterial(Z);  
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline 
G4Material* G4NistManager::FindOrBuildSimpleMaterial(G4int Z, G4bool warning)
{
  return matBuilder->FindOrBuildSimpleMaterial(Z, warning);  
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Material* G4NistManager::ConstructNewMaterial(
                                      const G4String& name,
                                      const std::vector<G4String>& elm,
                                      const std::vector<G4int>& nbAtoms,
              G4double dens, 
              G4bool isotopes,
              G4State   state,     
              G4double  T,  
              G4double  P) 

{
  return 
    matBuilder->ConstructNewMaterial(name,elm,nbAtoms,dens,isotopes,state,T,P);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Material* G4NistManager::ConstructNewMaterial(
                                      const G4String& name,
                                      const std::vector<G4String>& elm,
                                      const std::vector<G4double>& w,
              G4double dens, 
              G4bool isotopes,
              G4State   state,     
              G4double  T,  
              G4double  P) 
{
  return matBuilder->ConstructNewMaterial(name,elm,w,dens,isotopes,state,T,P);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Material* G4NistManager::ConstructNewGasMaterial(
              const G4String& name,
                                      const G4String& nameNist,
              G4double temp, G4double pres, 
              G4bool isotopes)
{
  return matBuilder->ConstructNewGasMaterial(name,nameNist,
               temp,pres,isotopes);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4Material* G4NistManager::ConstructNewIdealGasMaterial(
                                      const G4String& name,
                                      const std::vector<G4String>& elm,
                                      const std::vector<G4int>& nbAtoms,
                                      G4bool isotopes,
                                      G4double  T,
                                      G4double  P)
{
  return
    matBuilder->ConstructNewIdealGasMaterial(name,elm,nbAtoms,isotopes,T,P);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline void G4NistManager::ListMaterials(const G4String& list) const
{
  matBuilder->ListMaterials(list);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline
const std::vector<G4String>& G4NistManager::GetNistMaterialNames() const
{
  return matBuilder->GetMaterialNames();
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetZ13(G4double A) const
{
  return g4pow->A13(A);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetZ13(G4int Z) const
{
  return g4pow->Z13(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetA27(G4int Z) const
{
  return (0 <= Z && Z < 101) ? POWERA27[Z] : 0.0;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetLOGZ(G4int Z) const
{
  return g4pow->logZ(Z);
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

inline G4double G4NistManager::GetLOGAMU(G4int Z) const
{
  return (0 <= Z && Z < 101) ? LOGAZ[Z] : 0.0;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

#endif