Heed::SimpleAtomPhotoAbsCS Class Reference

#include <PhotoAbsCS.h>

Inheritance diagram for Heed::SimpleAtomPhotoAbsCS:

Public Member Functions
	SimpleAtomPhotoAbsCS ()
	Default constructor.
	SimpleAtomPhotoAbsCS (int fZ, const std::string &ffile_name)
	SimpleAtomPhotoAbsCS (int fZ, std::shared_ptr< PhotoAbsCS > fasc)
virtual	~SimpleAtomPhotoAbsCS ()
	Destructor.
virtual double	get_threshold (int nshell) const
	Get the ionization threshold for a given shell.
virtual double	get_ACS (double energy) const
virtual double	get_integral_ACS (double energy1, double energy2) const
	Integrated photo-absorption cross-section overa given interval.
virtual double	get_ACS (int nshell, double energy) const
	Sub-shell photo-absorption cross-section [Mbarn] at a given energy [MeV].
virtual double	get_integral_ACS (int nshell, double energy1, double energy2y) const
	Integrated sub-shell photo-absorption cross-section.
virtual double	get_ICS (double energy) const
virtual double	get_integral_ICS (double energy1, double energy2) const
	Integrated photo-ionization cross-section over a given interval.
virtual double	get_ICS (int nshell, double energy) const
	Sub-shell photo-ionization cross-section at a given energy.
virtual double	get_integral_ICS (int nshell, double energy1, double energy2) const
	Integrated sub-shell photo-ionization cross-section.
virtual int	get_main_shell_number (int nshell) const
virtual void	print (std::ostream &file, int l) const
virtual SimpleAtomPhotoAbsCS *	copy () const
Public Member Functions inherited from Heed::AtomPhotoAbsCS
	AtomPhotoAbsCS ()
	Default constructor.
int	get_Z () const
	Get the atomic number.
unsigned int	get_qshell () const
	Get the number of shells.
virtual double	get_threshold (int nshell) const =0
	Get the ionization threshold for a given shell.
virtual double	get_I_min () const
	Get the lowest ionization threshold among all shells.
virtual double	get_ACS (double energy) const =0
virtual double	get_integral_ACS (double energy1, double energy2) const =0
	Integrated photo-absorption cross-section overa given interval.
virtual double	get_ACS (int nshell, double energy) const =0
	Sub-shell photo-absorption cross-section [Mbarn] at a given energy [MeV].
virtual double	get_integral_ACS (int nshell, double energy1, double energy2) const =0
	Integrated sub-shell photo-absorption cross-section.
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
	Integrated photo-ionization cross-section over a given interval.
virtual double	get_integral_TICS (double energy1, double energy2, double factual_minimal_threshold) const
	Integral photo-ionization cross-section with redefined threshold.
virtual double	get_ICS (int nshell, double energy) const =0
	Sub-shell photo-ionization cross-section at a given energy.
virtual double	get_TICS (int nshell, double energy, double factual_minimal_threshold) const
	Sub-shell photo-ionization cross-section with redefined threshold.
virtual double	get_integral_ICS (int nshell, double energy1, double energy2) const =0
	Integrated sub-shell photo-ionization cross-section.
virtual double	get_integral_TICS (int nshell, double energy1, double energy2, double factual_minimal_threshold) const
	Integrated sub-shell photo-ionization cross-section (redefined threshold).
virtual void	get_escape_particles (const int nshell, double energy, std::vector< double > &el_energy, std::vector< double > &ph_energy) const
virtual int	get_main_shell_number (int nshell) const =0
virtual void	remove_shell (int nshell)
	Deactivate a sub-shell. Set s_ignore_shell flag to true.
virtual void	restore_shell (int nshell)
	Activate a sub-shell. Set s_ignore_shell flag to false.
virtual void	print (std::ostream &file, int l) const
virtual AtomPhotoAbsCS *	copy () const =0
AtomicSecondaryProducts *	get_asp (int nshell)

Protected Attributes
std::string	file_name
	Filename (saved for printing).
std::vector< std::shared_ptr< PhotoAbsCS > >	m_acs
Protected Attributes inherited from Heed::AtomPhotoAbsCS
std::string	name
	Name of the atom.
int	Z
	Atomic number.
int	qshell
	Number of shells.
std::vector< bool >	s_ignore_shell
std::vector< AtomicSecondaryProducts >	asp
	Sampling of relaxation products for each shell.

Detailed Description

Simple atomic photoabsorption cross-section (no difference between absorption and ionization).

Definition at line 388 of file PhotoAbsCS.h.

Constructor & Destructor Documentation

SimpleAtomPhotoAbsCS() [1/3]

Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS

(

)

Default constructor.

Definition at line 859 of file PhotoAbsCS.cpp.

: AtomPhotoAbsCS() {}

Referenced by copy().

SimpleAtomPhotoAbsCS() [2/3]

Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS	(	int	fZ,
		const std::string &	ffile_name
	)

Constructor for reading name and shell energies from file. Generates the CS by PhenoPhotoAbsCS.

Definition at line 861 of file PhotoAbsCS.cpp.

    : file_name(ffile_name) {
  mfunnamep("SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS(...)");
  check_econd11(fZ, < 1, mcerr);
  std::ifstream file(file_name.c_str());
  if (!file) {
    funnw.ehdr(mcerr);
    mcerr << "cannot open file " << file_name << std::endl;
    spexit(mcerr);
  }
  while (findmark(file, "#") == 1) {
    file >> Z;
    if (Z != fZ) continue;
    file >> qshell;
    check_econd21(qshell, < 1 ||, > 10000, mcerr);
    s_ignore_shell.resize(qshell, false);
    file >> name;
    m_acs.resize(qshell);
    asp.resize(qshell);
    std::vector<double> fl(qshell);
    int sZshell = 0;
    for (int nshell = 0; nshell < qshell; ++nshell) {
      double thr = 0.0;
      int Zshell = 0;
      std::string shell_name;
      file >> thr;
      check_econd11(thr, <= 0.0, mcerr);
      file >> Zshell;
      check_econd11(Zshell, <= 0, mcerr);
      sZshell += Zshell;
      file >> fl[nshell];
      findmark(file, "!");
      file >> shell_name;
      m_acs[nshell].reset(new PhenoPhotoAbsCS(shell_name, Zshell, thr * 1.0e-6));
    }
    check_econd12(sZshell, !=, Z, mcerr);
 
    int n_min = 0;
    double st = DBL_MAX;
    for (int nshell = 0; nshell < qshell; ++nshell) {
      // currently the minimal shell is the last,
      // but to avoid this assumption we check all
      if (get_threshold(nshell) < st) n_min = nshell;
    }
    for (int nshell = 0; nshell < qshell; ++nshell) {
      if (fl[nshell] <= 0) continue;
      check_econd12(nshell, ==, n_min, mcerr);
      std::vector<double> felectron_energy;
      std::vector<double> fphoton_energy;
      fphoton_energy.push_back(get_threshold(nshell) - get_threshold(n_min));
      asp[nshell].add_channel(fl[nshell], felectron_energy, fphoton_energy);
    }
    return;
  }
  funnw.ehdr(mcerr);
  mcerr << "there is no element Z=" << fZ << " in file " << file_name << '\n';
  spexit(mcerr);
}

SimpleAtomPhotoAbsCS() [3/3]

Heed::SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS	(	int	fZ,
		std::shared_ptr< PhotoAbsCS >	fasc
	)

Constructor with one prepared preliminary shell with Z electrons. Convenient for hydrogen.

Definition at line 921 of file PhotoAbsCS.cpp.

                                                                                 {
  mfunname("SimpleAtomPhotoAbsCS::SimpleAtomPhotoAbsCS(...)");
  check_econd11(facs, == nullptr, mcerr);
  check_econd11(fZ, <= 0, mcerr);
  check_econd12(fZ, !=, facs->get_Z(), mcerr);
  Z = fZ;
  qshell = 1;
  s_ignore_shell.resize(qshell, false);
  name = facs->get_name();
  m_acs.resize(1);
  m_acs[0] = std::move(facs);
}

~SimpleAtomPhotoAbsCS()

virtual Heed::SimpleAtomPhotoAbsCS::~SimpleAtomPhotoAbsCS ( )

inlinevirtual

Destructor.

Definition at line 399 of file PhotoAbsCS.h.

{}

Member Function Documentation

copy()

virtual SimpleAtomPhotoAbsCS * Heed::SimpleAtomPhotoAbsCS::copy ( ) const

inlinevirtual

Implements Heed::AtomPhotoAbsCS.

Definition at line 417 of file PhotoAbsCS.h.

                                             {
    return new SimpleAtomPhotoAbsCS(*this);
  }

get_ACS() [1/2]

double Heed::SimpleAtomPhotoAbsCS::get_ACS ( double  energy ) const

virtual

Photo-absorption cross-section [Mbarn] at a given energy [MeV]. The photo-absorption cross-section can include excitation.

Implements Heed::AtomPhotoAbsCS.

Definition at line 940 of file PhotoAbsCS.cpp.

                                                        {
  mfunname("double SimpleAtomPhotoAbsCS::get_ACS(double energy) const");
  double s = 0.0;
  for (int n = 0; n < qshell; ++n) {
    if (!s_ignore_shell[n]) s += m_acs[n]->get_CS(energy);
  }
  return s;
}

get_ACS() [2/2]

double Heed::SimpleAtomPhotoAbsCS::get_ACS ( int  nshell, double  energy  ) const

virtual

Sub-shell photo-absorption cross-section [Mbarn] at a given energy [MeV].

Implements Heed::AtomPhotoAbsCS.

Definition at line 967 of file PhotoAbsCS.cpp.

                                                                    {
  mfunname("double SimpleAtomPhotoAbsCS::get_ACS(int nshell, double energy)");
  check_econd21(nshell, < 0 ||, > qshell, mcerr);
  return s_ignore_shell[nshell] ? 0. : m_acs[nshell]->get_CS(energy);
}

get_ICS() [1/2]

double Heed::SimpleAtomPhotoAbsCS::get_ICS ( double  energy ) const

virtual

Photo-ionization cross-section [Mbarn] at a given energy [MeV]. The photo-ionization cross-section does not include excitation.

Implements Heed::AtomPhotoAbsCS.

Definition at line 980 of file PhotoAbsCS.cpp.

                                                        {
  mfunname("double SimpleAtomPhotoAbsCS::get_ICS(double energy) const");
  double s = 0.0;
  for (int n = 0; n < qshell; ++n) {
    if (!s_ignore_shell[n]) s += m_acs[n]->get_CS(energy);
  }
  return s;
}

get_ICS() [2/2]

double Heed::SimpleAtomPhotoAbsCS::get_ICS ( int  nshell, double  energy  ) const

virtual

Sub-shell photo-ionization cross-section at a given energy.

Implements Heed::AtomPhotoAbsCS.

Definition at line 999 of file PhotoAbsCS.cpp.

                                                                    {
  mfunname("double SimpleAtomPhotoAbsCS::get_ICS(int nshell, double energy)");
  check_econd21(nshell, < 0 ||, > qshell, mcerr);
  return s_ignore_shell[nshell] ? 0. : m_acs[nshell]->get_CS(energy);
}

get_integral_ACS() [1/2]

double Heed::SimpleAtomPhotoAbsCS::get_integral_ACS ( double  energy1, double  energy2  ) const

virtual

Integrated photo-absorption cross-section overa given interval.

Implements Heed::AtomPhotoAbsCS.

Definition at line 948 of file PhotoAbsCS.cpp.

                                                                    {
  mfunnamep("double SimpleAtomPhotoAbsCS::get_integral_ACS(...) const");
  double s = 0.0;
  for (int n = 0; n < qshell; ++n) {
    if (s_ignore_shell[n]) continue;
    const double t = m_acs[n]->get_integral_CS(energy1, energy2);
    if (t < 0) {
      funnw.ehdr(mcout);
      mcout << "t < 0\n";
      Iprintn(mcout, t);
      print(mcout, 4);
      spexit(mcout);
    }
    s += t;
  }
  return s;
}

get_integral_ACS() [2/2]

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

virtual

Integrated sub-shell photo-absorption cross-section.

Implements Heed::AtomPhotoAbsCS.

Definition at line 973 of file PhotoAbsCS.cpp.

                                                                {
  mfunname("double SimpleAtomPhotoAbsCS::get_integral_ACS(...) const");
  check_econd21(nshell, < 0 ||, > qshell, mcerr);
  return s_ignore_shell[nshell] ? 0. : m_acs[nshell]->get_integral_CS(en1, en2);
}

get_integral_ICS() [1/2]

double Heed::SimpleAtomPhotoAbsCS::get_integral_ICS ( double  energy1, double  energy2  ) const

virtual

Integrated photo-ionization cross-section over a given interval.

Implements Heed::AtomPhotoAbsCS.

Definition at line 989 of file PhotoAbsCS.cpp.

                                                                    {
  mfunname("double SimpleAtomPhotoAbsCS::get_integral_ICS(...) const");
  double s = 0.0;
  for (int n = 0; n < qshell; ++n) {
    if (!s_ignore_shell[n]) s += m_acs[n]->get_integral_CS(energy1, energy2);
  }
  return s;
}

get_integral_ICS() [2/2]

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

virtual

Integrated sub-shell photo-ionization cross-section.

Implements Heed::AtomPhotoAbsCS.

Definition at line 1005 of file PhotoAbsCS.cpp.

                                                                {
  mfunname("double SimpleAtomPhotoAbsCS::get_integral_ICS(...) const");
  check_econd21(nshell, < 0 ||, > qshell, mcerr);
  return s_ignore_shell[nshell] ? 0. : m_acs[nshell]->get_integral_CS(en1, en2);
}

get_main_shell_number()

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

inlinevirtual

Return the shell number (1, 2, ...) for a given index. The number is taken from the shell name. If the shell number cannot be determined, the function returns -1.

Implements Heed::AtomPhotoAbsCS.

Definition at line 413 of file PhotoAbsCS.h.

                                                      {
    return m_acs[nshell]->get_number();
  }

get_threshold()

double Heed::SimpleAtomPhotoAbsCS::get_threshold ( int  nshell ) const

virtual

Get the ionization threshold for a given shell.

Implements Heed::AtomPhotoAbsCS.

Definition at line 934 of file PhotoAbsCS.cpp.

                                                           {
  mfunname("double SimpleAtomPhotoAbsCS::get_threshold(int nshell) const");
  check_econd21(nshell, < 0 ||, > qshell, mcerr);
  return m_acs[nshell]->get_threshold();
}

Referenced by SimpleAtomPhotoAbsCS().

print()

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

virtual

Reimplemented from Heed::AtomPhotoAbsCS.

Definition at line 1012 of file PhotoAbsCS.cpp.

                                                              {
  if (l <= 0) return;
  Ifile << "SimpleAtomPhotoAbsCS(l=" << l << "): name=" << name << " Z = " << Z
        << " qshell = " << qshell << " file_name=" << file_name << std::endl;
  l--;
  if (l <= 0) return;
  indn.n += 2;
  for (int n = 0; n < qshell; ++n) {
    Ifile << "nshell=" << n << std::endl;
    m_acs[n]->print(file, l);
  }
  AtomPhotoAbsCS::print(file, l);
  indn.n -= 2;
}

Referenced by get_integral_ACS().

Member Data Documentation

file_name

std::string Heed::SimpleAtomPhotoAbsCS::file_name

protected

Filename (saved for printing).

Definition at line 423 of file PhotoAbsCS.h.

Referenced by print(), and SimpleAtomPhotoAbsCS().

m_acs

std::vector<std::shared_ptr<PhotoAbsCS> > Heed::SimpleAtomPhotoAbsCS::m_acs

protected

Definition at line 424 of file PhotoAbsCS.h.

Referenced by get_ACS(), get_ICS(), get_integral_ACS(), get_integral_ICS(), get_main_shell_number(), get_threshold(), print(), and SimpleAtomPhotoAbsCS().

---

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

• PhotoAbsCS.h
• PhotoAbsCS.cpp