 |
Rosetta
3.8
|
All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
|
Rosetta
3.8
|
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 > & | element2name () |
| std::string | name_from_elements (Elements element) |
| Elements | elements_from_name (std::string name) |
| std::map< std::string, Elements > & | name2element () |
| std::map< std::string, Elements > | setup_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... | |
| utility::vector0< std::string > & core::chemical::element::element2name | ( | ) |
References setup_element2name().
Referenced by name_from_elements().
| Elements core::chemical::element::elements_from_name | ( | std::string | name | ) |
References core::sequence::end, name2element(), and UnknownElement.
Referenced by core::chemical::Element::Element(), and core::chemical::Element::read().
| std::map< std::string, Elements > & core::chemical::element::name2element | ( | ) |
References setup_name2element().
Referenced by elements_from_name(), and setup_element2name().
| std::string core::chemical::element::name_from_elements | ( | Elements | element | ) |
References element2name(), and total_number_elements.
Referenced by core::chemical::ElementSet::element_index(), and core::chemical::rosetta_retype_fullatom().
| 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 core::sequence::end, 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().
1.8.7