G4MolecularDissociationTable.hh

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// Contact: Mathieu Karamitros (kara (AT) cenbg . in2p3 . fr)
//
// WARNING : This class is released as a prototype.
// It might strongly evolve or even disapear in the next releases.
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// The code is developed in the framework of the ESA AO7146
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// 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 ask that you please cite the following reference papers on chemistry:
//
// J. Comput. Phys. 274 (2014) 841-882
// Prog. Nucl. Sci. Tec. 2 (2011) 503-508 
//
// ----------------------------------------------------------------
//      GEANT 4 class header file
//
//      History: first implementation, Alfonso Mantero 4 Mar 2009
// ----------------------------------------------------------------
//

#ifndef G4MolecularDecayTable_h
#define G4MolecularDecayTable_h 1

#include <map>
#include <vector>
#include "G4ElectronOccupancy.hh"

class G4MolecularDissociationChannel;

//°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°
struct eOccComp
{
    bool operator() (const G4ElectronOccupancy& occ1, const G4ElectronOccupancy& occ2) const
    {

        if (occ1.GetTotalOccupancy() != occ2.GetTotalOccupancy())
        {
            return occ1.GetTotalOccupancy()<occ2.GetTotalOccupancy();
        }
        else
        {

            for (G4int i=0; i<occ1.GetSizeOfOrbit();)
            {

                if (occ1.GetOccupancy(i) != occ2.GetOccupancy(i))
                {
                    return occ1.GetOccupancy(i) < occ2.GetOccupancy(i);
                }
                else
                {

                    i++;
                    if (i >= occ1.GetSizeOfOrbit()) return false;
                }

            }
        }
        return false;
    }
};

//°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°°
typedef std::map<G4ElectronOccupancy, G4String, eOccComp>  statesMap;
typedef std::map<G4String, std::vector<const G4MolecularDissociationChannel*>, std::less <G4String> > channelsMap;

class G4MolecularDissociationTable
{

public:

    G4MolecularDissociationTable();
    ~G4MolecularDissociationTable();
    G4MolecularDissociationTable(const G4MolecularDissociationTable&);
    G4MolecularDissociationTable & operator=(const G4MolecularDissociationTable &right);

public:

    //°°°°°°°°°°°°°°°°°°
    // Create the table
    // methods to construct the table "interactively"
    void  AddExcitedState(const G4String&); // creates an empty excited state

    // creates or adds to an existing excited state an electronic configuration
    void  AddeConfToExcitedState(const G4String&,const G4ElectronOccupancy&);
    void  AddDecayChannel(const G4String&,const G4MolecularDissociationChannel*);
    void  CheckDataConsistency() ;
    // Checks that probabilities sum up to 100% for each excited state

//------------Inline fuctions------------
// Get methods to retrieve data

    const std::vector<const G4MolecularDissociationChannel*>* GetDecayChannels(const G4ElectronOccupancy*) const ;
    const std::vector<const G4MolecularDissociationChannel*>* GetDecayChannels(const G4String&) const ;

    const G4String& GetExcitedState(const G4ElectronOccupancy*) const ;
    const G4ElectronOccupancy& GetElectronOccupancy (const G4String&) const ;

    inline const statesMap& GetExcitedStateMaps() const;
    inline const channelsMap& GetDecayChannelsMap() const;

private:
    statesMap fExcitedStatesMap ;
    channelsMap fDecayChannelsMap ;
};

inline const statesMap&  G4MolecularDissociationTable::GetExcitedStateMaps() const
{
    return fExcitedStatesMap;
}

inline const channelsMap&  G4MolecularDissociationTable::GetDecayChannelsMap() const
{
    return fDecayChannelsMap;
}

#endif