Heed::MolecPhotoAbsCS Class Reference

#include <PhotoAbsCS.h>

Public Member Functions
int	get_qatom () const
	Total number of atoms of all sorts in the molecule.
int	get_qatom_ps (const int n) const
	Number of atoms of a particular sort in the molecule.
const AtomPhotoAbsCS *	get_atom (const int n)
double	get_ACS (double energy) const
	Photo-absorption cross-section [Mbarn] at a given energy [MeV].
double	get_integral_ACS (double energy1, double energy2) const
	Integral photo-absorption cross-section.
double	get_ICS (double energy) const
	Photo-ionization cross-section [Mbarn] at a given energy [MeV].
double	get_integral_ICS (double energy1, double energy2) const
	Integral photo-ionization cross-section.
size_t	get_total_Z () const
	Sum up the atomic numbers of all atoms in the molecule.
double	get_W () const
	Retrieve W value [MeV].
double	get_F () const
	Retrieve Fano factor.
	MolecPhotoAbsCS ()=default
	Default constructor.
	MolecPhotoAbsCS (const AtomPhotoAbsCS *fatom, int fqatom, double fW=0.0, double fF=standard_factor_Fano)
	MolecPhotoAbsCS (const AtomPhotoAbsCS *fatom1, int fqatom_ps1, const AtomPhotoAbsCS *fatom2, int fqatom_ps2, double fW=0.0, double fF=standard_factor_Fano)
	MolecPhotoAbsCS (const AtomPhotoAbsCS *fatom1, int fqatom_ps1, const AtomPhotoAbsCS *fatom2, int fqatom_ps2, const AtomPhotoAbsCS *fatom3, int fqatom_ps3, double fW=0.0, double fF=standard_factor_Fano)
	~MolecPhotoAbsCS ()
	Destructor.
void	print (std::ostream &file, int l) const

Detailed Description

Molecular photoabsorption cross-section. Molecules refer to atoms by passive pointers. If atom is changed, its image for molecule is also changed.

Definition at line 591 of file PhotoAbsCS.h.

Constructor & Destructor Documentation

MolecPhotoAbsCS() [1/4]

Heed::MolecPhotoAbsCS::MolecPhotoAbsCS ( )

default

Default constructor.

MolecPhotoAbsCS() [2/4]

Heed::MolecPhotoAbsCS::MolecPhotoAbsCS	(	const AtomPhotoAbsCS *	fatom,
		int	fqatom,
		double	fW = 0.0,
		double	fF = standard_factor_Fano
	)

Constructor for one sort of atoms. If fW == 0.0, the program assigns it as 2 * mean(I_min).

Definition at line 1822 of file PhotoAbsCS.cpp.

    : qatom(fqatom), W(fW), F(fF) {
  qatom_ps.push_back(qatom);
  atom.push_back(fatom);
  if (W == 0.0) W = coef_I_to_W * atom[0]->get_I_min();
}

MolecPhotoAbsCS() [3/4]

Heed::MolecPhotoAbsCS::MolecPhotoAbsCS	(	const AtomPhotoAbsCS *	fatom1,
		int	fqatom_ps1,
		const AtomPhotoAbsCS *	fatom2,
		int	fqatom_ps2,
		double	fW = 0.0,
		double	fF = standard_factor_Fano
	)

Constructor for two sorts of atoms. If fW == 0.0, the program assigns it as 2 * mean(I_min).

Definition at line 1830 of file PhotoAbsCS.cpp.

    : qatom(fqatom_ps1 + fqatom_ps2), W(fW), F(fF) {
  qatom_ps.push_back(fqatom_ps1);
  qatom_ps.push_back(fqatom_ps2);
  atom.push_back(fatom1);
  atom.push_back(fatom2);
  if (W != 0.0) return;
#ifdef CALC_W_USING_CHARGES
  W = coef_I_to_W * (qatom_ps[0] * atom[0]->get_Z() * atom[0]->get_I_min() +
                     qatom_ps[1] * atom[1]->get_Z() * atom[1]->get_I_min()) /
      (qatom_ps[0] * atom[0]->get_Z() + qatom_ps[1] * atom[1]->get_Z());
#else
  W = coef_I_to_W * (qatom_ps[0] * atom[0]->get_I_min() +
                     qatom_ps[1] * atom[1]->get_I_min()) /
      qatom;
#endif
}

MolecPhotoAbsCS() [4/4]

Heed::MolecPhotoAbsCS::MolecPhotoAbsCS	(	const AtomPhotoAbsCS *	fatom1,
		int	fqatom_ps1,
		const AtomPhotoAbsCS *	fatom2,
		int	fqatom_ps2,
		const AtomPhotoAbsCS *	fatom3,
		int	fqatom_ps3,
		double	fW = 0.0,
		double	fF = standard_factor_Fano
	)

Constructor for three sorts of atoms. If fW == 0.0, the program assigns it as 2 * mean(I_min).

Definition at line 1850 of file PhotoAbsCS.cpp.

    : qatom(fqatom_ps1 + fqatom_ps2 + fqatom_ps3), W(fW), F(fF) {
  qatom_ps.push_back(fqatom_ps1);
  qatom_ps.push_back(fqatom_ps2);
  qatom_ps.push_back(fqatom_ps3);
  atom.push_back(fatom1);
  atom.push_back(fatom2);
  atom.push_back(fatom3);
  if (W != 0.0) return;
#ifdef CALC_W_USING_CHARGES
  W = coef_I_to_W * (qatom_ps[0] * atom[0]->get_Z() * atom[0]->get_I_min() +
                     qatom_ps[1] * atom[1]->get_Z() * atom[1]->get_I_min() +
                     qatom_ps[2] * atom[2]->get_Z() * atom[2]->get_I_min()) /
      (qatom_ps[0] * atom[0]->get_Z() + qatom_ps[1] * atom[1]->get_Z() +
       qatom_ps[2] * atom[2]->get_Z());
#else
  W = coef_I_to_W *
      (qatom_ps[0] * atom[0]->get_I_min() + qatom_ps[1] * atom[1]->get_I_min() +
       qatom_ps[2] * atom[2]->get_I_min()) /
      qatom;
#endif
}

~MolecPhotoAbsCS()

Heed::MolecPhotoAbsCS::~MolecPhotoAbsCS ( )

inline

Destructor.

Definition at line 635 of file PhotoAbsCS.h.

{}

Member Function Documentation

get_ACS()

double Heed::MolecPhotoAbsCS::get_ACS

(

double

energy

)

const

Photo-absorption cross-section [Mbarn] at a given energy [MeV].

Definition at line 1876 of file PhotoAbsCS.cpp.

                                                         {
  mfunname("double MolecPhotoAbsCS::get_ACS(double energy) const");
  const long q = qatom_ps.size();
  double s = 0.0;
  for (long n = 0; n < q; n++) s += qatom_ps[n] * atom[n]->get_ACS(energy);
  return s;
}

Referenced by get_ACS().

get_atom()

const AtomPhotoAbsCS * Heed::MolecPhotoAbsCS::get_atom ( const int  n )

inline

Definition at line 597 of file PhotoAbsCS.h.

                                              { 
    return atom[n]; 
  }

get_F()

double Heed::MolecPhotoAbsCS::get_F ( ) const

inline

Retrieve Fano factor.

Definition at line 615 of file PhotoAbsCS.h.

{ return F; }

get_ICS()

double Heed::MolecPhotoAbsCS::get_ICS

(

double

energy

)

const

Photo-ionization cross-section [Mbarn] at a given energy [MeV].

Definition at line 1894 of file PhotoAbsCS.cpp.

                                                   {
  mfunname("double MolecPhotoAbsCS::get_ICS(double energy) const");
  const long q = qatom_ps.size();
  double s = 0.0;
  for (long n = 0; n < q; n++) s += qatom_ps[n] * atom[n]->get_ICS(energy);
  return s;
}

Referenced by get_ICS().

get_integral_ACS()

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

Integral photo-absorption cross-section.

Definition at line 1884 of file PhotoAbsCS.cpp.

                                                                     {
  mfunname("double MolecPhotoAbsCS::get_integral_ACS(double e1, double e2)");
  const long q = qatom_ps.size();
  double s = 0.0;
  for (long n = 0; n < q; n++) {
    s += qatom_ps[n] * atom[n]->get_integral_ACS(en1, en2);
  }
  return s;
}

get_integral_ICS()

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

Integral photo-ionization cross-section.

Definition at line 1902 of file PhotoAbsCS.cpp.

                                                                     {
  mfunname("double MolecPhotoAbsCS::get_integral_ICS(double e1, double e2)");
  const long q = qatom_ps.size();
  double s = 0.0;
  for (long n = 0; n < q; n++) {
    s += qatom_ps[n] * atom[n]->get_integral_ICS(en1, en2);
  }
  return s;
}

get_qatom()

int Heed::MolecPhotoAbsCS::get_qatom ( ) const

inline

Total number of atoms of all sorts in the molecule.

Definition at line 594 of file PhotoAbsCS.h.

{ return qatom; }

get_qatom_ps()

int Heed::MolecPhotoAbsCS::get_qatom_ps ( const int  n ) const

inline

Number of atoms of a particular sort in the molecule.

Definition at line 596 of file PhotoAbsCS.h.

{ return qatom_ps[n]; }

get_total_Z()

size_t Heed::MolecPhotoAbsCS::get_total_Z

(

)

const

Sum up the atomic numbers of all atoms in the molecule.

Definition at line 1912 of file PhotoAbsCS.cpp.

                                          {
  mfunname("size_t MolecPhotoAbsCS::get_total_Z() const");
  const size_t q = qatom_ps.size();
  size_t s = 0;
  for (size_t n = 0; n < q; n++) {
    s += qatom_ps[n] * atom[n]->get_Z();
  }
  return s;
}

get_W()

double Heed::MolecPhotoAbsCS::get_W ( ) const

inline

Retrieve W value [MeV].

Definition at line 613 of file PhotoAbsCS.h.

{ return W; }

print()

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

Definition at line 1922 of file PhotoAbsCS.cpp.

                                                         {
  Ifile << "MolecPhotoAbsCS (l=" << l << "):\n";
  Iprintn(file, qatom);
  Iprintn(file, W);
  Iprintn(file, F);
  const long q = qatom_ps.size();
  Ifile << "number of sorts of atoms is " << q << '\n';
  indn.n += 2;
  for (long n = 0; n < q; n++) {
    Ifile << "n=" << n << " qatom_ps[n]=" << qatom_ps[n] << " atom:\n";
    atom[n]->print(file, l);
  }
  indn.n -= 2;
}

Referenced by Heed::operator<<().

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

• PhotoAbsCS.h
• PhotoAbsCS.cpp