Heed::AtomPhotoAbsCS Class Reference

#include <PhotoAbsCS.h>

Inheritance diagram for Heed::AtomPhotoAbsCS:

Public Member Functions
int	get_Z () const
int	get_qshell () const
virtual double	get_threshold (int nshell) const =0
virtual double	get_I_min (void) const
virtual double	get_ACS (double energy) const =0
virtual double	get_integral_ACS (double energy1, double energy2) const =0
virtual double	get_ACS (int nshell, double energy) const =0
virtual double	get_integral_ACS (int nshell, double energy1, double energy2) const =0
virtual double	get_ICS (double energy) const =0
virtual double	get_TICS (double energy, double factual_minimal_threshold) const
virtual double	get_integral_ICS (double energy1, double energy2) const =0
virtual double	get_integral_TICS (double energy1, double energy2, double factual_minimal_threshold) const
virtual double	get_ICS (int nshell, double energy) const =0
virtual double	get_TICS (int nshell, double energy, double factual_minimal_threshold) const
virtual double	get_integral_ICS (int nshell, double energy1, double energy2) const =0
virtual double	get_integral_TICS (int nshell, double energy1, double energy2, double factual_minimal_threshold) const
virtual void	get_escape_particles (int nshell, double energy, DynLinArr< double > &el_energy, DynLinArr< double > &ph_energy) const
virtual int	get_main_shell_number (int nshell) const =0
virtual void	remove_shell (int nshell)
virtual void	restore_shell (int nshell)
virtual void	print (std::ostream &file, int l) const
	macro_copy_total_zero (AtomPhotoAbsCS)
	AtomPhotoAbsCS (void)
AtomicSecondaryProducts *	get_asp (int nshell)

Protected Attributes
String	name
int	Z
int	qshell
DynLinArr< int >	s_ignore_shell
DynLinArr< AtomicSecondaryProducts >	asp

Detailed Description

Definition at line 322 of file PhotoAbsCS.h.

Constructor & Destructor Documentation

AtomPhotoAbsCS()

Heed::AtomPhotoAbsCS::AtomPhotoAbsCS

(

void

)

Definition at line 990 of file PhotoAbsCS.cpp.

: name("none"), Z(0), qshell(0) {}

Member Function Documentation

get_ACS() [1/2]

virtual double Heed::AtomPhotoAbsCS::get_ACS ( double  energy ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

Referenced by get_TICS().

get_ACS() [2/2]

virtual double Heed::AtomPhotoAbsCS::get_ACS ( int  nshell, double  energy  ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

get_asp()

AtomicSecondaryProducts * Heed::AtomPhotoAbsCS::get_asp

(

int

nshell

)

Definition at line 1339 of file PhotoAbsCS.cpp.

                                                           {
  mfunnamep("AtomicSecondaryProducts* AtomPhotoAbsCS::get_asp(int nshell)");
  check_econd21(nshell, < 0 ||, >= qshell, mcerr);
  return &(asp[nshell]);
}

Referenced by Heed::generate_Argon_PACS_mod_esc().

get_escape_particles()

void Heed::AtomPhotoAbsCS::get_escape_particles ( int  nshell, double  energy, DynLinArr< double > &  el_energy, DynLinArr< double > &  ph_energy  ) const

virtual

Definition at line 1106 of file PhotoAbsCS.cpp.

                                                                              {
  mfunname("void AtomPhotoAbsCS::get_escape_particles(...)");
#ifdef DEBUG_PRINT_get_escape_particles
  mcout << "AtomPhotoAbsCS::get_escape_particles is started\n";
  // to find minimal shell
  Iprintn(mcout, nshell);
  Iprintn(mcout, energy);
#endif
  check_econd12(energy, <, 0.5 * get_threshold(nshell), mcerr);
  // In principle, the energy is allowed to be slightly less than threshold
  // due to unprecision of definition of point-wise cross sections.
  // To keep correct norm it is better not to ignore such events.
  // They usually can be treated quite well.
  // The factor 0.5 is put there just as arbitrary check for full stupidity.
 
  // program is complicated; to make sure that there is no remains
  // from previous runs are allowed to pass, I clear arrays:
  el_energy = DynLinArr<double>(0);
  ph_energy = DynLinArr<double>(0);
 
  int n_min = 0;
  double st = DBL_MAX;
  for (int n = 0; n < qshell; ++n) {
    // currently the minimal shell is the last,
    // but to avoid this assumption we check all
    if (get_threshold(n) < st) {
      n_min = n;
      st = get_threshold(n);
    }
  }
#ifdef DEBUG_PRINT_get_escape_particles
  Iprintn(mcout, n_min);
#endif
  if (nshell == n_min) {
    // generate delta-electron, here it will be the only one, since the shell
    // is the outmost valent one.
    double en;
    if (energy - get_threshold(n_min) >= 0.0) {
      en = energy - get_threshold(n_min);
    } else {
      en = 0.0;
    }
    el_energy = DynLinArr<double>(1, en);
    ph_energy = DynLinArr<double>(0);
  } else {
    // Energy of photo-electron
    double en = energy - get_threshold(nshell);
    double hdist = 0.0;  // used to preserve the balance of energy
                         // virtual gamma are generated by energy mesh
    // and their energy could be little less than the shell energy.
    // To avoid generation of electrons with negative energy
    // their energy is corrected. The value of correction is hdist.
    // To preserve energy this hdist is then distributed over
    // the other secondary products if they exist.
    if (en < 0.0) {
      hdist = -en;
      en = 0.0;
    }
    int is = 0;
    DynLinArr<double> felectron_energy;
    DynLinArr<double> fphoton_energy;
#ifdef DEBUG_PRINT_get_escape_particles
    Iprint2n(mcout, asp.get_qel(), get_qshell());
#endif
#ifndef DEBUG_ignore_non_standard_channels
    if (asp.get_qel() == get_qshell()) {
      // works only in this case?
      is = asp[nshell].get_channel(felectron_energy, fphoton_energy);
      // Here zero can be if the shell is not included in database
      // or if not standard channel is not choosen by random way.
      // In both cases the standard way should be invoked.
    }
#endif
    int main_n = get_main_shell_number(nshell);
#ifdef DEBUG_PRINT_get_escape_particles
    Iprint2n(mcout, nshell, main_n);
    Iprintn(mcout, is);
    Iprint(mcout, felectron_energy);
    Iprint(mcout, fphoton_energy);
#endif
    //check_econd22( is , == 0 && , main_n , < 0 , mcerr);  // since
    //// there will be neither default channel nor the explicit one
    //if(is == 0 && main_n > 0)
    if (is == 0) {
      // generate default channel
      if (main_n > 0) {
        // first find the principal quantum number of the deepest shell
        int main_n_largest = 0;
        for (int n = 0; n < qshell; ++n) {
          int t = get_main_shell_number(n);
          if (t > main_n_largest) main_n_largest = t;
        }
#ifdef DEBUG_PRINT_get_escape_particles
        Iprintn(mcout, main_n_largest);
#endif
        if (main_n_largest - main_n >= 2) {
          // At least K, l, M shells exists
          // In this case we use more advanced scheme
          // Look for shell with larger main number and with less energy
          int n_choosen = -1;
          double thr = DBL_MAX;  // this will be the least threshold
                                 // among the shells with next principal number
          for (int n = 0; n < qshell; ++n) {
            // currently the minimal shell is the last,
            // but to avoid this assumption we check all
            int main_n_t = get_main_shell_number(n);
            if (main_n_t > 0 && main_n_t == main_n + 1) {
              if (thr > get_threshold(n)) {
                n_choosen = n;
                thr = get_threshold(n);
              }
            }
          }
#ifdef DEBUG_PRINT_get_escape_particles
          Iprint2n(mcout, n_choosen, thr);
#endif
          check_econd11(n_choosen, < 0, mcerr);
          double e_temp = 0.0;
          if ((e_temp = get_threshold(nshell) - hdist -
                        2.0 * get_threshold(n_choosen))
              //if(get_threshold(nshell) - hdist - 2.0*get_threshold(n_choosen)
              > 0.0) {
            el_energy = DynLinArr<double>(4);
            el_energy[0] = en;  // photo-electron
            el_energy[1] = e_temp;
            //el_energy[1] = get_threshold(nshell) - hdist -
            //  2.0*get_threshold(n_choosen);
            // first Auger from choosen shell
            // Then filling two vacancies at the next (choosen) shell
            // from the outermost one
            if ((e_temp = get_threshold(n_choosen) -
                          2.0 * get_threshold(n_min)) > 0.0) {
              el_energy[2] = e_temp;
              //el_energy[2] =
              //  get_threshold(n_choosen) - 2.0 * get_threshold(n_min);
              el_energy[3] = el_energy[2];
              check_econd11(el_energy[2], < 0.0, mcerr);
            } else {  // ignore two last Auger electrons
              el_energy.put_qel(2);
            }
          } else if ((e_temp = get_threshold(nshell) - hdist -
                      get_threshold(n_choosen) - get_threshold(n_min)) > 0.0) {
            el_energy = DynLinArr<double>(3);
            el_energy[0] = en;  // photo-electron
            el_energy[1] = e_temp;
            //el_energy[1] = get_threshold(nshell) - hdist -
            //  get_threshold(n_choosen) - get_threshold(n_min);
            // filling initially ionized level from choosen
            // and emmitance of Auger from outermost.
            check_econd11(el_energy[1], < 0.0, mcerr);
            if ((e_temp = get_threshold(n_choosen) -
                          2.0 * get_threshold(n_min)) > 0.0) {
              el_energy[2] = e_temp;
              //el_energy[2] = get_threshold(n_choosen) - 2.0 *
              //get_threshold(n_min);
            } else {  // ignore this last Auger electron
              el_energy.put_qel(2);
            }
          }
          ph_energy = DynLinArr<double>(0);
        } else  // for if(main_n_largest - main_n >= 2)
            {
          //generate Auger from the outermost shell
          double en1 =
              get_threshold(nshell) - hdist - 2.0 * get_threshold(n_min);
          if (en1 >= 0.0) {
            el_energy = DynLinArr<double>(2);
            el_energy[0] = en;
            el_energy[1] = en1;
          } else {
            el_energy = DynLinArr<double>(1);
            el_energy[0] = en;
          }
          ph_energy = DynLinArr<double>(0);
        }
      } else  // for if(main_n > 0)
          {   // principal numbers are not available, then we generate Auger
              // to outmost shell
        double en1 = get_threshold(nshell) - hdist - 2.0 * get_threshold(n_min);
        if (en1 >= 0.0) {
          el_energy = DynLinArr<double>(2);
          el_energy[0] = en;
          el_energy[1] = en1;
        } else {
          el_energy = DynLinArr<double>(1);
          el_energy[0] = en;
        }
        ph_energy = DynLinArr<double>(0);
      }
    } else  // for if(is == 0),  generate explicit channel
        {
      // Generate photo-electron and
      // just copy all what is proposed by get_channel
      // with corrections by hdist.
 
      el_energy = DynLinArr<double>(1 + felectron_energy.get_qel());
      el_energy[0] = en;
      long q = felectron_energy.get_qel();
      for (long n = 0; n < q; ++n) {
        check_econd21(felectron_energy[n], < 0 ||, > get_threshold(nshell),
                      mcerr);
        el_energy[1 + n] = felectron_energy[n] - hdist;
        if (el_energy[1 + n] < 0) {
          hdist = -el_energy[1 + n];
          el_energy[1 + n] = 0.0;
        } else {
          hdist = 0.0;
        }
      }
      ph_energy = DynLinArr<double>(fphoton_energy.get_qel());
      q = fphoton_energy.get_qel();
      for (long n = 0; n < q; ++n) {
        check_econd21(fphoton_energy[n], < 0 ||, > get_threshold(nshell),
                      mcerr);
        ph_energy[n] = fphoton_energy[n] - hdist;
        if (ph_energy[n] < 0) {
          hdist = -ph_energy[n];
          ph_energy[n] = 0.0;
        } else {
          hdist = 0.0;
        }
      }
    }
  }
#ifdef DEBUG_PRINT_get_escape_particles
  Iprintn(mcout, ph_energy);
  Iprintn(mcout, el_energy);
  mcout << "AtomPhotoAbsCS::get_escape_particles: exitting\n";
#endif
}

get_I_min()

double Heed::AtomPhotoAbsCS::get_I_min ( void  ) const

virtual

Definition at line 1095 of file PhotoAbsCS.cpp.

                                           {
  mfunname("double AtomPhotoAbsCS::get_I_min(void) const");
  double st = DBL_MAX;
  for (int n = 0; n < qshell; ++n) {
    // currently the minimal shell is the last,
    // but to avoid this assumption we check all
    if (get_threshold(n) < st) st = get_threshold(n);
  }
  return st;
}

get_ICS() [1/2]

virtual double Heed::AtomPhotoAbsCS::get_ICS ( double  energy ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

get_ICS() [2/2]

virtual double Heed::AtomPhotoAbsCS::get_ICS ( int  nshell, double  energy  ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

get_integral_ACS() [1/2]

virtual double Heed::AtomPhotoAbsCS::get_integral_ACS ( double  energy1, double  energy2  ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

Referenced by get_integral_TICS(), and get_TICS().

get_integral_ACS() [2/2]

virtual double Heed::AtomPhotoAbsCS::get_integral_ACS ( int  nshell, double  energy1, double  energy2  ) const

pure virtual

Implemented in Heed::ExAtomPhotoAbsCS, and Heed::SimpleAtomPhotoAbsCS.

get_integral_ICS() [1/2]

virtual double Heed::AtomPhotoAbsCS::get_integral_ICS ( double  energy1, double  energy2  ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

get_integral_ICS() [2/2]

virtual double Heed::AtomPhotoAbsCS::get_integral_ICS ( int  nshell, double  energy1, double  energy2  ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

get_integral_TICS() [1/2]

double Heed::AtomPhotoAbsCS::get_integral_TICS ( double  energy1, double  energy2, double  factual_minimal_threshold  ) const

virtual

Definition at line 1004 of file PhotoAbsCS.cpp.

                                                                            {
  mfunname("double AtomPhotoAbsCS::get_integral_TICS(double energy1, double "
           "energy2, double factual_minimal_threshold) const");
 
  if (factual_minimal_threshold <= energy2) {
    // All what is absorbed, should ionize
    if (energy1 < factual_minimal_threshold) {
      energy1 = factual_minimal_threshold;
    }
    return get_integral_ACS(energy1, energy2);
  }
  return 0.0;
}

get_integral_TICS() [2/2]

double Heed::AtomPhotoAbsCS::get_integral_TICS ( int  nshell, double  energy1, double  energy2, double  factual_minimal_threshold  ) const

virtual

Definition at line 1033 of file PhotoAbsCS.cpp.

                                            {
  mfunname("double AtomPhotoAbsCS::get_integral_TICS(int nshell, double "
           "energy1, double energy2, double factual_minimal_threshold) const");
 
  if (s_ignore_shell[nshell] == 0) {
    if (factual_minimal_threshold <= energy1) {
      // All what is absorbed, should ionize
      return get_integral_ACS(nshell, energy1, energy2);
    }
    if (factual_minimal_threshold >= energy2) return 0.0;
    return get_integral_ACS(nshell, factual_minimal_threshold, energy2);
  }
  return 0.0;
}

get_main_shell_number()

virtual int Heed::AtomPhotoAbsCS::get_main_shell_number ( int  nshell ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

Referenced by get_escape_particles().

get_qshell()

int Heed::AtomPhotoAbsCS::get_qshell ( ) const

inline

Definition at line 325 of file PhotoAbsCS.h.

{ return qshell; }

Referenced by get_escape_particles().

get_threshold()

virtual double Heed::AtomPhotoAbsCS::get_threshold ( int  nshell ) const

pure virtual

Implemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

Referenced by get_escape_particles(), and get_I_min().

get_TICS() [1/2]

double Heed::AtomPhotoAbsCS::get_TICS ( double  energy, double  factual_minimal_threshold  ) const

virtual

Definition at line 992 of file PhotoAbsCS.cpp.

                                                                        {
  mfunname("double AtomPhotoAbsCS::get_TICS(double energy, double "
           "factual_minimal_threshold) const");
 
  if (factual_minimal_threshold <= energy) {
    // All what is absorbed, should ionize
    return get_ACS(energy);
  }
  return 0.0;
}

get_TICS() [2/2]

double Heed::AtomPhotoAbsCS::get_TICS ( int  nshell, double  energy, double  factual_minimal_threshold  ) const

virtual

Definition at line 1019 of file PhotoAbsCS.cpp.

                                                                        {
  mfunname("double AtomPhotoAbsCS::get_TICS(int nshell, double energy, double "
           "factual_minimal_threshold) const");
 
  if (s_ignore_shell[nshell] == 0) {
    if (factual_minimal_threshold <= energy) {
      // All what is absorbed, should ionize
      return get_integral_ACS(nshell, energy);
    }
  }
  return 0.0;
}

get_Z()

int Heed::AtomPhotoAbsCS::get_Z ( ) const

inline

Definition at line 324 of file PhotoAbsCS.h.

{ return Z; }

macro_copy_total_zero()

Heed::AtomPhotoAbsCS::macro_copy_total_zero

(

AtomPhotoAbsCS

)

print()

void Heed::AtomPhotoAbsCS::print ( std::ostream &  file, int  l  ) const

virtual

Reimplemented in Heed::SimpleAtomPhotoAbsCS, and Heed::ExAtomPhotoAbsCS.

Definition at line 1062 of file PhotoAbsCS.cpp.

                                                        {
  mfunnamep("void AtomPhotoAbsCS::print(std::ostream& file, int l) const");
  if (l > 0) {
    Ifile << "AtomPhotoAbsCS(l=" << l << "): name=" << name << " Z = " << Z
          << " qshell = " << qshell << std::endl;
    Iprintn(mcout, asp.get_qel());
    long q = asp.get_qel();
    if (q == 0) {
      q = s_ignore_shell.get_qel();
      indn.n += 2;
      for (long n = 0; n < q; ++n) {
        Ifile << "n=" << n << " s_ignore_shell[n] = " << s_ignore_shell[n]
              << '\n';
      }
      indn.n -= 2;
    } else {
      check_econd12(asp.get_qel(), !=, s_ignore_shell.get_qel(), mcerr);
      indn.n += 2;
      for (long n = 0; n < q; ++n) {
        Ifile << "n=" << n << " s_ignore_shell[n] = " << s_ignore_shell[n]
              << '\n';
        asp[n].print(mcout, l);
      }
      indn.n -= 2;
    }
  }
}

Referenced by Heed::operator<<(), Heed::SimpleAtomPhotoAbsCS::print(), and Heed::ExAtomPhotoAbsCS::print().

remove_shell()

void Heed::AtomPhotoAbsCS::remove_shell ( int  nshell )

virtual

Definition at line 1050 of file PhotoAbsCS.cpp.

                                            {
  mfunname("void AtomPhotoAbsCS::remove_shell(int nshell)");
  check_econd21(nshell, < 0 ||, >= qshell, mcerr);
  s_ignore_shell[nshell] = 1;
}

restore_shell()

void Heed::AtomPhotoAbsCS::restore_shell ( int  nshell )

virtual

Definition at line 1056 of file PhotoAbsCS.cpp.

                                             {
  mfunname("void AtomPhotoAbsCS::restore_shell(int nshell)");
  check_econd21(nshell, < 0 ||, >= qshell, mcerr);
  s_ignore_shell[nshell] = 0;
}

Member Data Documentation

asp

DynLinArr<AtomicSecondaryProducts> Heed::AtomPhotoAbsCS::asp

protected

Definition at line 394 of file PhotoAbsCS.h.

Referenced by Heed::ExAtomPhotoAbsCS::ExAtomPhotoAbsCS(), get_asp(), get_escape_particles(), print(), and Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS().

name

String Heed::AtomPhotoAbsCS::name

protected

Definition at line 385 of file PhotoAbsCS.h.

Referenced by Heed::ExAtomPhotoAbsCS::ExAtomPhotoAbsCS(), print(), Heed::SimpleAtomPhotoAbsCS::print(), Heed::ExAtomPhotoAbsCS::print(), and Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS().

qshell

int Heed::AtomPhotoAbsCS::qshell

protected

Definition at line 387 of file PhotoAbsCS.h.

Referenced by Heed::ExAtomPhotoAbsCS::ExAtomPhotoAbsCS(), Heed::SimpleAtomPhotoAbsCS::get_ACS(), Heed::ExAtomPhotoAbsCS::get_ACS(), get_asp(), get_escape_particles(), get_I_min(), Heed::SimpleAtomPhotoAbsCS::get_ICS(), Heed::ExAtomPhotoAbsCS::get_ICS(), Heed::SimpleAtomPhotoAbsCS::get_integral_ACS(), Heed::ExAtomPhotoAbsCS::get_integral_ACS(), Heed::SimpleAtomPhotoAbsCS::get_integral_ICS(), Heed::ExAtomPhotoAbsCS::get_integral_ICS(), get_qshell(), Heed::SimpleAtomPhotoAbsCS::get_threshold(), Heed::ExAtomPhotoAbsCS::get_threshold(), print(), Heed::SimpleAtomPhotoAbsCS::print(), Heed::ExAtomPhotoAbsCS::print(), remove_shell(), Heed::ExAtomPhotoAbsCS::replace_shells_by_overage(), restore_shell(), and Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS().

s_ignore_shell

DynLinArr<int> Heed::AtomPhotoAbsCS::s_ignore_shell

protected

Definition at line 388 of file PhotoAbsCS.h.

Referenced by Heed::ExAtomPhotoAbsCS::ExAtomPhotoAbsCS(), Heed::SimpleAtomPhotoAbsCS::get_ACS(), Heed::ExAtomPhotoAbsCS::get_ACS(), Heed::SimpleAtomPhotoAbsCS::get_ICS(), Heed::ExAtomPhotoAbsCS::get_ICS(), Heed::SimpleAtomPhotoAbsCS::get_integral_ACS(), Heed::ExAtomPhotoAbsCS::get_integral_ACS(), Heed::SimpleAtomPhotoAbsCS::get_integral_ICS(), Heed::ExAtomPhotoAbsCS::get_integral_ICS(), get_integral_TICS(), get_TICS(), print(), remove_shell(), restore_shell(), and Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS().

Z

int Heed::AtomPhotoAbsCS::Z

protected

Definition at line 386 of file PhotoAbsCS.h.

Referenced by Heed::ExAtomPhotoAbsCS::ExAtomPhotoAbsCS(), get_Z(), print(), Heed::SimpleAtomPhotoAbsCS::print(), Heed::ExAtomPhotoAbsCS::print(), and Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS().

---

The documentation for this class was generated from the following files:

• PhotoAbsCS.h
• PhotoAbsCS.cpp