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Enumerations | Functions
core::chemical::element Namespace Reference

Enumerations

enum  Elements {
  UnknownElement =0, H =1, He, Li,
  Be, B, C, N,
  O, F, Ne, Na,
  Mg, Al, Si, P,
  S, Cl, Ar, K,
  Ca, Sc, Ti, V,
  Cr, Mn, Fe, Co,
  Ni, Cu, Zn, Ga,
  Ge, As, Se, Br,
  Kr, Rb, Sr, Y,
  Zr, Nb, Mo, Tc,
  Ru, Rh, Pd, Ag,
  Cd, In, Sn, Sb,
  Te, I, Xe, Cs,
  Ba, La, Ce, Pr,
  Nd, Pm, Sm, Eu,
  Gd, Tb, Dy, Ho,
  Er, Tm, Yb, Lu,
  Hf, Ta, W, Re,
  Os, Ir, Pt, Au,
  Hg, Tl, Pb, Bi,
  Po, At, Rn, Fr,
  Ra, Ac, Th, Pa,
  U, Np, Pu, Am,
  Cm, Bk, Cf, Es,
  Fm, Md, No, Lr,
  Rf, Db, Sg, Bh,
  Hs, Mt, Ds, Rg,
  Cn, Uut, Fl, Uup,
  Lv, Uus, Uuo, total_number_elements = 119
}
 

Functions

utility::vector0< std::string >
const & 
element2name ()
 
std::string name_from_elements (Elements element)
 
Elements elements_from_name (std::string name)
 
std::map< std::string,
Elements > const & 
name2element ()
 
std::map< std::string, Elementssetup_name2element ()
 setup the map that converts string name to AA enum More...
 
utility::vector0< std::string > setup_element2name ()
 setup the vector that maps Element enum to string name More...
 

Enumeration Type Documentation

Enumerator
UnknownElement 
He 
Li 
Be 
Ne 
Na 
Mg 
Al 
Si 
Cl 
Ar 
Ca 
Sc 
Ti 
Cr 
Mn 
Fe 
Co 
Ni 
Cu 
Zn 
Ga 
Ge 
As 
Se 
Br 
Kr 
Rb 
Sr 
Zr 
Nb 
Mo 
Tc 
Ru 
Rh 
Pd 
Ag 
Cd 
In 
Sn 
Sb 
Te 
Xe 
Cs 
Ba 
La 
Ce 
Pr 
Nd 
Pm 
Sm 
Eu 
Gd 
Tb 
Dy 
Ho 
Er 
Tm 
Yb 
Lu 
Hf 
Ta 
Re 
Os 
Ir 
Pt 
Au 
Hg 
Tl 
Pb 
Bi 
Po 
At 
Rn 
Fr 
Ra 
Ac 
Th 
Pa 
Np 
Pu 
Am 
Cm 
Bk 
Cf 
Es 
Fm 
Md 
No 
Lr 
Rf 
Db 
Sg 
Bh 
Hs 
Mt 
Ds 
Rg 
Cn 
Uut 
Fl 
Uup 
Lv 
Uus 
Uuo 
total_number_elements 

Function Documentation

utility::vector0< std::string > const & core::chemical::element::element2name ( )

References setup_element2name().

Referenced by name_from_elements().

Elements core::chemical::element::elements_from_name ( std::string  name)
std::map< std::string, Elements > const & core::chemical::element::name2element ( )
std::string core::chemical::element::name_from_elements ( Elements  element)
utility::vector0< std::string > core::chemical::element::setup_element2name ( )

setup the vector that maps Element enum to string name

setup the vector that maps AA enum to string name

References name2element(), and total_number_elements.

Referenced by element2name().

std::map< std::string, Elements > core::chemical::element::setup_name2element ( )

setup the map that converts string name to AA enum

References Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Ni, No, Np, O, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, UnknownElement, Uuo, Uup, Uus, Uut, V, W, Xe, Y, Yb, Zn, and Zr.

Referenced by name2element().