Gabriele Cosmo
262 lines
10 KiB
C++
262 lines
10 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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//
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// Author: Mathieu Karamitros
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//
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// We would be very happy hearing from you, send us your feedback! :)
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//
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// In order for Geant4-DNA to be maintained and still open-source,
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// article citations are crucial.
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// If you use Geant4-DNA chemistry and you publish papers about your software,
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// in addition to the general paper on Geant4-DNA:
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//
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// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
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//
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// we would be very happy if you could please also cite the following
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// reference papers on chemistry:
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//
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// J. Comput. Phys. 274 (2014) 841-882
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// Prog. Nucl. Sci. Tec. 2 (2011) 503-508
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#ifndef G4DNAMolecularMaterial_HH
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#define G4DNAMolecularMaterial_HH
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#include "globals.hh"
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#include "G4ios.hh"
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#include <map>
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#include <vector>
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#include "G4VStateDependent.hh"
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class G4Material;
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class G4MolecularConfiguration;
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/**
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* \struct CompareMaterial
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* \brief Materials can be described as a derivation of existing "parent"
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* materials in order to alter few of their features, such as density.
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* \p CompareMaterial compare materials taking into account
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* their possible "affiliation".
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*/
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struct CompareMaterial
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{
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bool operator()(const G4Material* mat1, const G4Material* mat2) const;
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};
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using ComponentMap = std::map<const G4Material*, G4double, CompareMaterial>;
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/**
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* \class G4DNAMolecularMaterial
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* \brief G4DNAMolecularMaterial builds tables of molecular densities for chosen
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* molecular materials. The class handles homogeneous, composite and
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* derived materials. A material of interest is labeled as molecular if built
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* using the number of atoms rather than the mass fractions.
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*
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* \details
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* - Initialization:
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* G4DNAMolecularMaterial is initialized when
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* G4ApplicationState == G4State_Idle.
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* It should be initialized on the master thread and used in read-only mode
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* during stepping. The singleton is thread-shared.
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*
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* - For Developers:
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* Use GetNumMolPerVolTableFor(molecule) in the concrete implementation of
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* G4VEmModel::Initialise or G4VProcess::PreparePhysicsTable
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* at run initialization to retrieve a read-only, thread-safe, table.
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* The table is then built on the master thread at initialization time and
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* shared between all threads and models.
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*
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* \note A G4material is labeled as molecular if built using the number of atoms
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*
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*/
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class G4DNAMolecularMaterial: public G4VStateDependent
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{
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public:
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G4DNAMolecularMaterial(const G4DNAMolecularMaterial& right) = delete;
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G4DNAMolecularMaterial& operator=(const G4DNAMolecularMaterial&) = delete;
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static G4DNAMolecularMaterial* Instance();
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void Initialize();
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void Clear();
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G4bool Notify(G4ApplicationState requestedState) override;
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//----------------------------------------------------------------------------
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/**
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* \fn const std::vector<G4double>* \
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* GetDensityTableFor(const G4Material* searchedMaterial) const
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* \brief Retrieve a table of volumetric mass densities (mass per unit volume)
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* in the G4 unit system for chosen material.
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*
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* @param[in] searchedMaterial
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* The material which you'd like to retrieve the volumic mass
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* @pre The \p searchedMaterial used in parameter must be built as a
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* molecular material, using the number of atoms rather than the density
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* fractions.
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* \return
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* Pointer to a table of molecular densities for the \p searchedMaterial
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* indexed on the (parent) material index.
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*
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*/
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const std::vector<G4double>* GetDensityTableFor(const G4Material*) const;
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/**
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* \fn const std::vector<G4double>* \
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* GetNumMolPerVolTableFor(const G4Material* searchedMaterial) const
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* \brief Retrieve a table of molecular densities (number of molecules per
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* unit volume) in the G4 unit system for chosen material.
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*
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* @param[in] searchedMaterial
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* The material which you'd like to retrieve the molecular density
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* @pre The \p searchedMaterial used in parameter must be built as a
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* molecular material, using the number of atoms rather than the density
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* fractions.
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* \return
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* Pointer to a table of molecular densities for the \p searchedMaterial
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* indexed on the (parent) material index.
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*/
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const std::vector<G4double>* GetNumMolPerVolTableFor(const G4Material*) const;
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inline const std::vector<ComponentMap>* GetMassFractionTable() const{
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return fpCompFractionTable;
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}
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inline const std::vector<ComponentMap>* GetDensityTable() const{
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return fpCompDensityTable;
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}
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//----------------------------------------------------------------------------
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G4MolecularConfiguration* GetMolecularConfiguration(const G4Material*) const;
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/**
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* \fn void SetMolecularConfiguration(const G4Material* material, \
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* G4MolecularConfiguration* molConf)
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* \brief Associate a molecular configuration to a G4material.
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*
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* @param[in] material
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* Pointer to a G4 material. The material
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* does not need to be defined as a molecular material.
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* @param[in] molConf
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* The molecular configuration corresponding to
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* the G4 \p material.
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*/
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void SetMolecularConfiguration(const G4Material*,
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G4MolecularConfiguration*);
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/**
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* \fn void SetMolecularConfiguration(const G4Material* material, \
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* const G4String& molConf)
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* \brief Associate a molecular configuration to a G4material.
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*
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* @param[in] material
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* Pointer to a G4 material. The material
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* does not need to be defined as a molecular material.
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* @param[in] molConf
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* User ID of the molecular configuration corresponding to
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* the G4 \p material.
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*/
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void SetMolecularConfiguration(const G4Material*,
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const G4String&);
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/**
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* \fn void SetMolecularConfiguration(const G4Material* material, \
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* const G4String& molConf)
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* \brief Associate a molecular configuration to a G4material.
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*
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* @param[in] material
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* Name of the G4 material. The material
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* does not need to be defined as a molecular material.
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* @param[in] molConf
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* User ID of the molecular configuration corresponding to
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* the G4 \p material.
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*/
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void SetMolecularConfiguration(const G4String& materialName,
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const G4String& molUserIF);
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//----------------------------------------------------------------------------
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/**
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* \brief Deprecated
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* \deprecated Will return a G4 fatal exception.
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* Use instead GetNumMolPerVolTableFor(molecule) at run
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* initialization to retrieve a read-only, thread-safe, table.
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* \note A G4material is labeled as molecular if built using
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* the number of atoms.
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*/
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G4double GetNumMoleculePerVolumeUnitForMaterial(const G4Material *mat);
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/**
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* \brief Deprecated
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* \deprecated Will return a G4 fatal exception.
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* Use instead GetNumMolPerVolTableFor(molecule) at run
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* initialization to retrieve a read-only, thread-safe, table.
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* \note A G4material is labeled as molecular if built using
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* the number of atoms.
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*/
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G4double GetNumMolPerVolForComponentInComposite(const G4Material *composite,
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const G4Material *component,
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G4double massFraction);
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protected:
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static G4DNAMolecularMaterial* fInstance;
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G4DNAMolecularMaterial();
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~G4DNAMolecularMaterial() override;
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void Create();
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void InitializeNumMolPerVol();
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void InitializeDensity();
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void RecordMolecularMaterial(G4Material* parentMaterial,
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G4Material* molecularMaterial,
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G4double fraction);
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void SearchMolecularMaterial(G4Material* parentMaterial,
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G4Material* material,
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G4double currentFraction);
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void AddMaterial(const G4Material*, G4double fraction);
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void PrintNotAMolecularMaterial(const char* methodName,
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const G4Material* lookForMaterial) const;
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// Tables built for all molecular materials at initialization
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std::vector<ComponentMap>* fpCompFractionTable;
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std::vector<ComponentMap>* fpCompDensityTable;
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std::vector<ComponentMap>* fpCompNumMolPerVolTable;
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mutable std::map<const G4Material*, std::vector<G4double>*, CompareMaterial>
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fAskedDensityTable;
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mutable std::map<const G4Material*, std::vector<G4double>*, CompareMaterial>
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fAskedNumPerVolTable;
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mutable std::map<const G4Material*, G4bool, CompareMaterial> fWarningPrinted;
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std::map<G4int /*Material ID*/,
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G4MolecularConfiguration*> fMaterialToMolecularConf;
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G4bool fIsInitialized;
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std::size_t fNMaterials;
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};
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#endif // G4DNAMolecularMaterial_HH
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