egs_atomic_relaxations.h

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/*
###############################################################################
#
#  EGSnrc egs++ atomic relaxation headers
#  Copyright (C) 2015 National Research Council Canada
#
#  This file is part of EGSnrc.
#
#  EGSnrc is free software: you can redistribute it and/or modify it under
#  the terms of the GNU Affero General Public License as published by the
#  Free Software Foundation, either version 3 of the License, or (at your
#  option) any later version.
#
#  EGSnrc is distributed in the hope that it will be useful, but WITHOUT ANY
#  WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
#  FOR A PARTICULAR PURPOSE.  See the GNU Affero General Public License for
#  more details.
#
#  You should have received a copy of the GNU Affero General Public License
#  along with EGSnrc. If not, see <http://www.gnu.org/licenses/>.
#
###############################################################################
#
#  Author:          Iwan Kawrakow, 2008
#
#  Contributors:    Reid Townson
#
###############################################################################
*/


#ifndef EGS_ATOMIC_RELAXATIONS_

#define EGS_ATOMIC_RELAXATIONS_

#include "egs_simple_container.h"

struct EGS_RelaxationParticle {
    int        q;  
    EGS_Float  E;  
    EGS_RelaxationParticle(int Q, EGS_Float e) : q(Q), E(e) {};
    EGS_RelaxationParticle() {};
};

class EGS_RelaxImplementation;
class EGS_RandomGenerator;

class EGS_EXPORT EGS_AtomicRelaxations {

public:

    EGS_AtomicRelaxations(const char *data_path = 0);

    ~EGS_AtomicRelaxations();

    int loadData(int Z);

    int loadAllData();

    int loadData(int nz, const int *Zarray);

    void relax(int Z, int sh, EGS_Float ecut, EGS_Float pcut,
               EGS_RandomGenerator *rndm, double &edep,
               EGS_SimpleContainer<EGS_RelaxationParticle> &particles);

    EGS_Float getBindingEnergy(int Z, int shell);

    int      getNShell(int Z);

    void      setBindingEnergy(int Z, int shell, EGS_Float new_be);

    EGS_Float getMaxGammaEnergy(int Z, int shell);

    EGS_Float getMaxElectronEnergy(int Z, int shell);

protected:

    EGS_RelaxImplementation *p;

};

#endif