Heed::AtomDefs Class Reference

Library of atoms. More...

#include <AtomDef.h>

Static Public Member Functions
static void	addAtom (const std::string &name, const std::string &notation, const int z, const double a)
static const std::list< AtomDef > &	getAtoms ()
static const AtomDef *	getAtom (const std::string &fnotation)
static double	getA (int fZ)
static const AtomDef *	getAtom (int fZ)
static void	printAtoms (std::ostream &file)
	Print all registered atoms.

Detailed Description

Library of atoms.

Definition at line 47 of file AtomDef.h.

Member Function Documentation

addAtom()

void Heed::AtomDefs::addAtom ( const std::string & name, const std::string & notation, const int z, const double a )

static

Definition at line 36 of file AtomDef.cpp.

                                        {
  AtomDefs::atoms.push_back(AtomDef(name, notation, z, a));
}

Referenced by getAtoms().

getA()

double Heed::AtomDefs::getA ( int fZ )

static

Return the atomic number corresponding to a given Z. If the atom is not registered, the program is terminated. Be careful!

Definition at line 121 of file AtomDef.cpp.

                            {
  mfunnamep("double AtomDefs::getA(int fZ)");
  for (const auto& atom : getAtoms()) {
    if (atom.Z() == fZ) return atom.A();
  }
  funnw.ehdr(mcerr);
  mcerr << "Atom is not found, Z=" << fZ << '\n';
  spexit(mcerr);
  return 0.0;
}

getAtom() [1/2]

const AtomDef * Heed::AtomDefs::getAtom ( const std::string & fnotation )

static

Return the address of atom with this name if it is registered in system, or NULL otherwise

Definition at line 114 of file AtomDef.cpp.

                                                           {
  for (const auto& atom : getAtoms()) {
    if (atom.notation() == fnotation) return &atom;
  }
  return nullptr;
}

Referenced by Heed::AtomMixDef::AtomMixDef(), and Heed::AtomMixDef::AtomMixDef().

getAtom() [2/2]

const AtomDef * Heed::AtomDefs::getAtom ( int fZ )

static

Return the address of atom corresponding to a given Z. If the atom is not registered, the program is terminated. Be careful!

Definition at line 132 of file AtomDef.cpp.

                                       {
  mfunnamep("AtomDef* AtomDefs::getAtom(int fZ)");
  for (const auto& atom : getAtoms()) {
    if (atom.Z() == fZ) return &atom;
  }
  funnw.ehdr(mcerr);
  mcerr << "Atom is not found, Z=" << fZ << '\n';
  spexit(mcerr);
  return nullptr;
}

getAtoms()

const std::list< AtomDef > & Heed::AtomDefs::getAtoms ( )

static

Definition at line 41 of file AtomDef.cpp.

                                           {
  if (!atoms.empty()) return atoms;
  addAtom("Hydrogen", "H", 1, 1.0);
  // addAtom("Hydrogen", "H", 1, 1.00794 * gram/mole));
  addAtom("Helium", "He", 2, 4.002602 * gram / mole);
  addAtom("Lithium", "Li", 3, 6.941 * gram / mole);
  addAtom("Beryllium", "Be", 4, 9.012182 * gram / mole);
  addAtom("Boron", "B", 5, 10.811 * gram / mole);
  addAtom("Carbon", "C", 6, 12.011 * gram / mole);
  addAtom("Nitrogen", "N", 7, 14.00674 * gram / mole);
  addAtom("Oxygen", "O", 8, 15.9994 * gram / mole);
  addAtom("Fluorine", "F", 9, 18.9984032 * gram / mole);
  addAtom("Neon", "Ne", 10, 20.1797 * gram / mole);
  addAtom("Sodium", "Na", 11, 22.989768 * gram / mole);
  addAtom("Magnesium", "Mg", 12, 24.3050 * gram / mole);
  addAtom("Aluminium", "Al", 13, 26.981539 * gram / mole);
  addAtom("Silicon", "Si", 14, 28.0855 * gram / mole);
  addAtom("Phosphorus", "P", 15, 30.973762 * gram / mole);
  addAtom("Sulfur", "S", 16, 32.066 * gram / mole);
  addAtom("Chlorine", "Cl", 17, 35.066 * gram / mole);
  addAtom("Argon", "Ar", 18, 39.948 * gram / mole);
  addAtom("Argon_without_K", "Ar_without_K", 16,
                          39.948 * gram / mole);
  addAtom("Potassium", "K", 19, 39.098 * gram / mole);
  addAtom("Calcium", "Ca", 20, 40.08 * gram / mole);
  addAtom("Scandium", "Sc", 21, 44.9559 * gram / mole);
  addAtom("Titanium", "Ti", 22, 47.867 * gram / mole);
  addAtom("Vanadium", "V", 23, 50.9414 * gram / mole);
  addAtom("Chromium", "Cr", 24, 51.996 * gram / mole);
  addAtom("Manganese", "Mn", 25, 54.9380 * gram / mole);
  addAtom("Iron", "Fe", 26, 55.845 * gram / mole);
  addAtom("Cobalt", "Co", 27, 58.9332 * gram / mole);
  addAtom("Nickel", "Ni", 28, 58.70 * gram / mole);
  addAtom("Copper", "Cu", 29, 63.546 * gram / mole);
  addAtom("Zinc", "Zn", 30, 65.38 * gram / mole);
  addAtom("Gallium", "Ga", 31, 69.72 * gram / mole);
  addAtom("Germanium", "Ge", 32, 72.59 * gram / mole);
  addAtom("Arsenic", "As", 33, 74.9216 * gram / mole);
  addAtom("Selenium", "Se", 34, 78.96 * gram / mole);
  addAtom("Bromine", "Br", 35, 79.904 * gram / mole);
  addAtom("Krypton", "Kr", 36, 83.80 * gram / mole);
  addAtom("Rubidium", "Rb", 37, 85.4673 * gram / mole);
  addAtom("Strontium", "Sr", 38, 87.62 * gram / mole);
  addAtom("Yttrium", "Y", 39, 88.9059 * gram / mole);
  addAtom("Zirconium", "Zr", 40, 91.22 * gram / mole);
  addAtom("Niobium", "Nb", 41, 92.9064 * gram / mole);
  addAtom("Molybdenum", "Mo", 42, 95.94 * gram / mole);
  addAtom("Technetium", "Tc", 43, 98 * gram / mole);
  addAtom("Ruthenium", "Ru", 44, 101.07 * gram / mole);
  addAtom("Rhodium", "Rh", 45, 102.9055 * gram / mole);
  addAtom("Palladium", "Pd", 46, 106.4 * gram / mole);
  addAtom("Silver", "Ag", 47, 107.868 * gram / mole);
  addAtom("Cadmium", "Cd", 48, 112.411 * gram / mole);
  addAtom("Indium", "In", 49, 114.818 * gram / mole);
  addAtom("Tin", "Sn", 50, 118.710 * gram / mole);
  addAtom("Antimony", "Sb", 51, 121.760 * gram / mole);
  addAtom("Tellurium", "Te", 52, 127.60 * gram / mole);
  addAtom("Iodine", "I", 53, 126.9045 * gram / mole);
  addAtom("Xenon", "Xe", 54, 131.293 * gram / mole);
  addAtom("Caesium", "Cs", 55, 132.9054519 * gram / mole);
  addAtom("Tungsten", "W", 74, 183.85 * gram / mole);
  addAtom("Mercury", "Hg", 80, 200.59 * gram / mole);
  addAtom("Bismuth", "Bi", 83, 208.9804 * gram / mole);
  addAtom("Uranium", "U", 92, 238.0289 * gram / mole);
  addAtom("Plutonium", "Pu", 94, 244.0 * gram / mole);
  return atoms;
}

Referenced by getA(), getAtom(), getAtom(), and printAtoms().

printAtoms()

void Heed::AtomDefs::printAtoms ( std::ostream & file )

static

Print all registered atoms.

Definition at line 109 of file AtomDef.cpp.

                                          {
  Ifile << "AtomDefs::printAtoms:\n";
  for (const auto& atom : getAtoms()) file << atom;
}

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

• AtomDef.h
• AtomDef.cpp