include/Geant4/G4MoleculeCounter.hh

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
0004 // *                                                                  *
0005 // * The  Geant4 software  is  copyright of the Copyright Holders  of *
0006 // * the Geant4 Collaboration.  It is provided  under  the terms  and *
0007 // * conditions of the Geant4 Software License,  included in the file *
0008 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
0009 // * include a list of copyright holders.                             *
0010 // *                                                                  *
0011 // * Neither the authors of this software system, nor their employing *
0012 // * institutes,nor the agencies providing financial support for this *
0013 // * work  make  any representation or  warranty, express or implied, *
0014 // * regarding  this  software system or assume any liability for its *
0015 // * use.  Please see the license in the file  LICENSE  and URL above *
0016 // * for the full disclaimer and the limitation of liability.         *
0017 // *                                                                  *
0018 // * This  code  implementation is the result of  the  scientific and *
0019 // * technical work of the GEANT4 collaboration.                      *
0020 // * By using,  copying,  modifying or  distributing the software (or *
0021 // * any work based  on the software)  you  agree  to acknowledge its *
0022 // * use  in  resulting  scientific  publications,  and indicate your *
0023 // * acceptance of all terms of the Geant4 Software license.          *
0024 // ********************************************************************
0025 //
0026 // Author: Mathieu Karamitros
0027 // Modified by Christian Velten (2024)
0028
0029 // The code is developed in the framework of the ESA AO7146
0030 //
0031 // We would be very happy hearing from you, send us your feedback! :)
0032 //
0033 // In order for Geant4-DNA to be maintained and still open-source,
0034 // article citations are crucial.
0035 // If you use Geant4-DNA chemistry and you publish papers about your software,
0036 // in addition to the general paper on Geant4-DNA:
0037 //
0038 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
0039 //
0040 // we would be very happy if you could please also cite the following
0041 // reference papers on chemistry:
0042 //
0043 // J. Comput. Phys. 274 (2014) 841-882
0044 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508
0045
0046 #pragma once
0047
0048 #include "G4MolecularConfiguration.hh"
0049 #include "G4VUserMoleculeCounter.hh"
0050
0051 #include <map>
0052 #include <vector>
0053
0054 //------------------------------------------------------------------------------
0055
0056 struct G4MoleculeCounterIndex : public G4VMoleculeCounter::G4VMoleculeCounterIndex
0057 {
0058     const G4MolecularConfiguration* Molecule;
0059     G4MoleculeCounterIndex() : Molecule(nullptr) {}
0060     explicit G4MoleculeCounterIndex(const G4MolecularConfiguration* molecule) : Molecule(molecule)
0061     {}
0062     ~G4MoleculeCounterIndex() override = default;
0063     G4bool operator<(G4VMoleculeCounterIndex const& other) const override
0064     {
0065       return std::less{}(Molecule, static_cast<const G4MoleculeCounterIndex&>(other).Molecule);
0066     }
0067     G4bool operator==(G4VMoleculeCounterIndex const& other) const override
0068     {
0069       return std::equal_to{}(Molecule, static_cast<const G4MoleculeCounterIndex&>(other).Molecule);
0070     }
0071     G4String GetInfo() const override
0072     {
0073       G4String null = "null";
0074       if (Molecule == nullptr) {
0075         return null;
0076       }
0077       else {
0078         G4String name = Molecule->GetName();
0079         G4String info = "Molecule: " + name;
0080         return info;
0081       }
0082     }
0083     const G4MolecularConfiguration* GetMolecule() const override { return Molecule; }
0084 };
0085
0086 class G4MoleculeCounter : public G4VUserMoleculeCounter<G4MoleculeCounterIndex>
0087 {
0088     //----------------------------------------------------------------------------
0089   public:
0090     G4MoleculeCounter();
0091     G4MoleculeCounter(G4String);
0092     ~G4MoleculeCounter() override = default;
0093
0094     void InitializeUser() override;
0095
0096   public:
0097     std::unique_ptr<G4VMoleculeCounterIndex> BuildIndex(const G4Track*) const override;
0098     std::unique_ptr<G4VMoleculeCounterIndex> BuildIndex(const G4Track*,
0099                                                         const G4StepPoint*) const override;
0100     std::unique_ptr<G4VMoleculeCounterIndex>
0101     BuildSimpleIndex(const G4MolecularConfiguration*) const override;
0102 };