G4NistMaterialBuilder.hh

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// $Id: G4NistMaterialBuilder.hh 97248 2016-05-30 15:00:11Z gcosmo $

#ifndef G4NistMaterialBuilder_h
#define G4NistMaterialBuilder_h 1

//---------------------------------------------------------------------------
//
// ClassName:   G4NistMaterialBuilder
//
// Description: Utility class to hold and manipulate G4Materials
//
// Author:      V.Ivanchenko 21.11.2004
//
// Modifications:
// 31.10.05 Add chemical effect and gas properties (V.Ivanchenko)
// 27.02.06 V.Ivanchneko add ConstructNewGasMaterial
// 11.05.06 V.Ivanchneko add warning flag to FindOrBuildMaterial method
// 27.07.06 V.Ivanchneko set defaul warning=true for FindOrBuildMaterial
// 27.07.07 V.Ivanchneko add matIndex vector to control built materials
// 28.07.07 V.Ivanchneko add BuildMaterial method using Nist index
// 29.04.10 V.Ivanchneko add GetMeanIonisationEnergy method using Nist index
// 09.02.12 P.Gumplinger add ConstructNewIdealGasMaterial
//
//----------------------------------------------------------------------------
//
// Class Description:
//
// Element data from the NIST DB on Atomic Weights and Isotope Compositions
// http://physics.nist.gov/PhysRefData/Compositions/index.html
//

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

#include "globals.hh"
#include "G4Material.hh"
#include "G4Threading.hh"

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

class G4NistElementBuilder;

class G4NistMaterialBuilder
{
public:

  G4NistMaterialBuilder(G4NistElementBuilder*, G4int verb=0);
      
  ~G4NistMaterialBuilder();
 
  // Find or build a G4Material by name, from dataBase
  //
  inline G4Material* FindMaterial (const G4String& name) const;
  G4Material* FindOrBuildMaterial (const G4String& name, 
           G4bool isotopes=true,
           G4bool warning =true);
              

  // Find or build a simple material via atomic number
  //
  inline G4Material* FindSimpleMaterial(G4int Z) const;
  G4Material* FindOrBuildSimpleMaterial(G4int Z, G4bool warning);

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

  // Construct an ideal gas G4Material from scratch by atom count
  //
  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); 
              
  // verbosity level defined by G4NistManager
  //
  void SetVerbose(G4int val);

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

  // cout lists of predefined materials
  //
  void ListNistSimpleMaterials() const;
  void ListNistCompoundMaterials() const;
  void ListHepMaterials() const;
  void ListSpaceMaterials() const;
  void ListBioChemicalMaterials() const;

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

  // access to the NIST mean ionisation potentials and nominal densities
  //
  inline G4double GetMeanIonisationEnergy(G4int index) const;
  inline G4double GetNominalDensity(G4int index) const;

private:

  void Initialise();
  void NistSimpleMaterials();
  void NistCompoundMaterials();
  void NistCompoundMaterials2();
  void HepAndNuclearMaterials();
  void SpaceMaterials();
  void BioChemicalMaterials();

  // add parameters of material from NIST DB to internal vectors
  // density in g/cm3, mean ionisation potential in eV
  // 
  void AddMaterial(const G4String& nameMat, G4double dens, G4int Z=0,
       G4double pot=0.0, G4int ncomp=1,
       G4State=kStateSolid, G4bool stp = true);

  void AddGas(const G4String& nameMat, G4double t=NTP_Temperature,
                                       G4double p=CLHEP::STP_Pressure);

  void AddElementByWeightFraction(G4int Z, G4double);
  void AddElementByAtomCount     (G4int Z, G4int);

  void AddElementByWeightFraction(const G4String& name, G4double);
  void AddElementByAtomCount     (const G4String& name, G4int);

  // build a G4Material from dataBase
  G4Material* BuildNistMaterial(const G4String& matname, G4bool warning);
  G4Material* BuildMaterial(G4int idx);

  void DumpElm(G4int) const;
  void DumpMix(G4int) const;

private:

  G4NistElementBuilder*  elmBuilder;

  G4int                  verbose;
  G4int                  nMaterials;
  G4int                  nComponents;
  G4int                  nCurrent;
  G4int                  nElementary;
  G4int                  nNIST;
  G4int                  nHEP;
  G4int                  nSpace;

  std::vector<G4String>  names;
  std::vector<G4String>  chFormulas;

  std::vector<G4double>  densities;
  std::vector<G4double>  ionPotentials;
  std::vector<G4State>   states;
  std::vector<G4double>  fractions;
  std::vector<G4bool>    atomCount;
  std::vector<G4int>     components;
  std::vector<G4int>     indexes;
  std::vector<G4int>     elements;
  std::vector<G4int>     matIndex;
  std::vector<G4bool>    STP;

  std::vector<G4int>     idxGas;
  std::vector<G4double>  gasTemperature;
  std::vector<G4double>  gasPressure;

#ifdef G4MULTITHREADED
  static G4Mutex nistMaterialMutex;
#endif

};

inline const std::vector<G4String>& 
       G4NistMaterialBuilder::GetMaterialNames() const
{
  return names;
}

inline G4double 
G4NistMaterialBuilder::GetMeanIonisationEnergy(G4int index) const
{
  return (index >= 0 && index < nMaterials) ? ionPotentials[index] : 10.0*index; 
}

inline G4double 
G4NistMaterialBuilder::GetNominalDensity(G4int index) const
{
  return (index >= 0 && index < nMaterials) ? densities[index] : 0.0;
}

inline G4Material* 
G4NistMaterialBuilder::FindMaterial(const G4String& name) const
{
  const G4MaterialTable* theMaterialTable = G4Material::GetMaterialTable();
  size_t nmat = theMaterialTable->size();
  G4Material* ptr = nullptr;
  for(size_t i=0; i<nmat; ++i) {
    if(name == ((*theMaterialTable)[i])->GetName()) { 
      ptr = (*theMaterialTable)[i];
      break;
    } 
  }
  return ptr;
}

inline G4Material* 
G4NistMaterialBuilder::FindSimpleMaterial(G4int Z) const
{
  return (Z>0 && Z<nElementary) ? FindMaterial(names[Z]) : nullptr;
}

#endif