// // ******************************************************************** // * 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. * // ******************************************************************** // // // 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) 157–178 // // 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 #include #include "G4VStateDependent.hh" class G4Material; class G4MolecularConfiguration; /** * \struct CompareMaterial * \brief Materials can be described as a derivation of existing "parent" * materials in order to alter few of their features, such as density. * \p CompareMaterial compare materials taking into account * their possible "affiliation". */ struct CompareMaterial { bool operator()(const G4Material* mat1, const G4Material* mat2) const; }; using ComponentMap = std::map; /** * \class G4DNAMolecularMaterial * \brief G4DNAMolecularMaterial builds tables of molecular densities for chosen * molecular materials. The class handles homogeneous, composite and * derived materials. A material of interest is labeled as molecular if built * using the number of atoms rather than the mass fractions. * * \details * - Initialization: * G4DNAMolecularMaterial is initialized when * G4ApplicationState == G4State_Idle. * It should be initialized on the master thread and used in read-only mode * during stepping. The singleton is thread-shared. * * - For Developers: * Use GetNumMolPerVolTableFor(molecule) in the concrete implementation of * G4VEmModel::Initialise or G4VProcess::PreparePhysicsTable * at run initialization to retrieve a read-only, thread-safe, table. * The table is then built on the master thread at initialization time and * shared between all threads and models. * * \note A G4material is labeled as molecular if built using the number of atoms * */ class G4DNAMolecularMaterial: public G4VStateDependent { public: G4DNAMolecularMaterial(const G4DNAMolecularMaterial& right) = delete; G4DNAMolecularMaterial& operator=(const G4DNAMolecularMaterial&) = delete; static G4DNAMolecularMaterial* Instance(); void Initialize(); void Clear(); G4bool Notify(G4ApplicationState requestedState) override; //---------------------------------------------------------------------------- /** * \fn const std::vector* \ * GetDensityTableFor(const G4Material* searchedMaterial) const * \brief Retrieve a table of volumetric mass densities (mass per unit volume) * in the G4 unit system for chosen material. * * @param[in] searchedMaterial * The material which you'd like to retrieve the volumic mass * @pre The \p searchedMaterial used in parameter must be built as a * molecular material, using the number of atoms rather than the density * fractions. * \return * Pointer to a table of molecular densities for the \p searchedMaterial * indexed on the (parent) material index. * */ const std::vector* GetDensityTableFor(const G4Material*) const; /** * \fn const std::vector* \ * GetNumMolPerVolTableFor(const G4Material* searchedMaterial) const * \brief Retrieve a table of molecular densities (number of molecules per * unit volume) in the G4 unit system for chosen material. * * @param[in] searchedMaterial * The material which you'd like to retrieve the molecular density * @pre The \p searchedMaterial used in parameter must be built as a * molecular material, using the number of atoms rather than the density * fractions. * \return * Pointer to a table of molecular densities for the \p searchedMaterial * indexed on the (parent) material index. */ const std::vector* GetNumMolPerVolTableFor(const G4Material*) const; inline const std::vector* GetMassFractionTable() const{ return fpCompFractionTable; } inline const std::vector* GetDensityTable() const{ return fpCompDensityTable; } //---------------------------------------------------------------------------- G4MolecularConfiguration* GetMolecularConfiguration(const G4Material*) const; /** * \fn void SetMolecularConfiguration(const G4Material* material, \ * G4MolecularConfiguration* molConf) * \brief Associate a molecular configuration to a G4material. * * @param[in] material * Pointer to a G4 material. The material * does not need to be defined as a molecular material. * @param[in] molConf * The molecular configuration corresponding to * the G4 \p material. */ void SetMolecularConfiguration(const G4Material*, G4MolecularConfiguration*); /** * \fn void SetMolecularConfiguration(const G4Material* material, \ * const G4String& molConf) * \brief Associate a molecular configuration to a G4material. * * @param[in] material * Pointer to a G4 material. The material * does not need to be defined as a molecular material. * @param[in] molConf * User ID of the molecular configuration corresponding to * the G4 \p material. */ void SetMolecularConfiguration(const G4Material*, const G4String&); /** * \fn void SetMolecularConfiguration(const G4Material* material, \ * const G4String& molConf) * \brief Associate a molecular configuration to a G4material. * * @param[in] material * Name of the G4 material. The material * does not need to be defined as a molecular material. * @param[in] molConf * User ID of the molecular configuration corresponding to * the G4 \p material. */ void SetMolecularConfiguration(const G4String& materialName, const G4String& molUserIF); //---------------------------------------------------------------------------- /** * \brief Deprecated * \deprecated Will return a G4 fatal exception. * Use instead GetNumMolPerVolTableFor(molecule) at run * initialization to retrieve a read-only, thread-safe, table. * \note A G4material is labeled as molecular if built using * the number of atoms. */ G4double GetNumMoleculePerVolumeUnitForMaterial(const G4Material *mat); /** * \brief Deprecated * \deprecated Will return a G4 fatal exception. * Use instead GetNumMolPerVolTableFor(molecule) at run * initialization to retrieve a read-only, thread-safe, table. * \note A G4material is labeled as molecular if built using * the number of atoms. */ G4double GetNumMolPerVolForComponentInComposite(const G4Material *composite, const G4Material *component, G4double massFraction); protected: static G4DNAMolecularMaterial* fInstance; G4DNAMolecularMaterial(); ~G4DNAMolecularMaterial() override; void Create(); void InitializeNumMolPerVol(); void InitializeDensity(); void RecordMolecularMaterial(G4Material* parentMaterial, G4Material* molecularMaterial, G4double fraction); void SearchMolecularMaterial(G4Material* parentMaterial, G4Material* material, G4double currentFraction); void AddMaterial(const G4Material*, G4double fraction); void PrintNotAMolecularMaterial(const char* methodName, const G4Material* lookForMaterial) const; // Tables built for all molecular materials at initialization std::vector* fpCompFractionTable; std::vector* fpCompDensityTable; std::vector* fpCompNumMolPerVolTable; mutable std::map*, CompareMaterial> fAskedDensityTable; mutable std::map*, CompareMaterial> fAskedNumPerVolTable; mutable std::map fWarningPrinted; std::map fMaterialToMolecularConf; G4bool fIsInitialized; std::size_t fNMaterials; }; #endif // G4DNAMolecularMaterial_HH