#include #include namespace cctbx { namespace eltbx { namespace neutron { namespace detail { namespace { /* Neutron bound scattering lengths & cross-sections Data from: http://www.ncnr.nist.gov/resources/n-lengths/list.html All of this data was taken from the Special Feature section of neutron scattering lengths and cross sections of the elements and their isotopes in Neutron News, Vol. 3, No. 3, 1992, pp. 29-37. */ const raw_record_neutron_news_1992 table[] = { // BEGIN_COMPILED_IN_REFERENCE_DATA {"H", -3.7390, 0, 0.3326}, {"D", 6.671, 0, 0.000519}, {"He", 3.26, 0, 0.00747}, {"Li", -1.90, 0, 70.5}, {"Li1+", -1.90, 0, 70.5}, // copy {"Be", 7.79, 0, 0.0076}, {"Be2+", 7.79, 0, 0.0076}, // copy {"B", 5.30, -0.213, 767.}, {"C", 6.6460, 0, 0.0035}, {"N", 9.36, 0, 1.9}, {"O", 5.803, 0, 0.00019}, {"O1-", 5.803, 0, 0.00019}, // copy {"O2-", 5.803, 0, 0.00019}, // copy {"F", 5.654, 0, 0.0096}, {"F1-", 5.654, 0, 0.0096}, // copy {"Ne", 4.566, 0, 0.039}, {"Na", 3.63, 0, 0.53}, {"Na1+", 3.63, 0, 0.53}, // copy {"Mg", 5.375, 0, 0.063}, {"Mg2+", 5.375, 0, 0.063}, // copy {"Al", 3.449, 0, 0.231}, {"Al3+", 3.449, 0, 0.231}, // copy {"Si", 4.1491, 0, 0.171}, {"Si4+", 4.1491, 0, 0.171}, // copy {"P", 5.13, 0, 0.172}, {"S", 2.847, 0, 0.53}, {"Cl", 9.5770, 0, 33.5}, {"Cl1-", 9.5770, 0, 33.5}, // copy {"Ar", 1.909, 0, 0.675}, {"K", 3.67, 0, 2.1}, {"K1+", 3.67, 0, 2.1}, // copy {"Ca", 4.70, 0, 0.43}, {"Ca2+", 4.70, 0, 0.43}, // copy {"Sc", 12.29, 0, 27.5}, {"Sc3+", 12.29, 0, 27.5}, // copy {"Ti", -3.438, 0, 6.09}, {"Ti2+", -3.438, 0, 6.09}, // copy {"Ti3+", -3.438, 0, 6.09}, // copy {"Ti4+", -3.438, 0, 6.09}, // copy {"V", -0.3824, 0, 5.08}, {"V2+", -0.3824, 0, 5.08}, // copy {"V3+", -0.3824, 0, 5.08}, // copy {"V5+", -0.3824, 0, 5.08}, // copy {"Cr", 3.635, 0, 3.05}, {"Cr2+", 3.635, 0, 3.05}, // copy {"Cr3+", 3.635, 0, 3.05}, // copy {"Mn", -3.73, 0, 13.3}, {"Mn2+", -3.73, 0, 13.3}, // copy {"Mn3+", -3.73, 0, 13.3}, // copy {"Mn4+", -3.73, 0, 13.3}, // copy {"Fe", 9.45, 0, 2.56}, {"Fe2+", 9.45, 0, 2.56}, // copy {"Fe3+", 9.45, 0, 2.56}, // copy {"Co", 2.49, 0, 37.18}, {"Co2+", 2.49, 0, 37.18}, // copy {"Co3+", 2.49, 0, 37.18}, // copy {"Ni", 10.3, 0, 4.49}, {"Ni2+", 10.3, 0, 4.49}, // copy {"Ni3+", 10.3, 0, 4.49}, // copy {"Cu", 7.718, 0, 3.78}, {"Cu1+", 7.718, 0, 3.78}, // copy {"Cu2+", 7.718, 0, 3.78}, // copy {"Zn", 5.680, 0, 1.11}, {"Zn2+", 5.680, 0, 1.11}, // copy {"Ga", 7.288, 0, 2.75}, {"Ga3+", 7.288, 0, 2.75}, // copy {"Ge", 8.185, 0, 2.2}, {"Ge4+", 8.185, 0, 2.2}, // copy {"As", 6.58, 0, 4.5}, {"Se", 7.970, 0, 11.7}, {"Br", 6.795, 0, 6.9}, {"Br1-", 6.795, 0, 6.9}, // copy {"Kr", 7.81, 0, 25.}, {"Rb", 7.09, 0, 0.38}, {"Rb1+", 7.09, 0, 0.38}, // copy {"Sr", 7.02, 0, 1.28}, {"Sr2+", 7.02, 0, 1.28}, // copy {"Y", 7.75, 0, 1.28}, {"Y3+", 7.75, 0, 1.28}, // copy {"Zr", 7.16, 0, 0.185}, {"Zr4+", 7.16, 0, 0.185}, // copy {"Nb", 7.054, 0, 1.15}, {"Nb3+", 7.054, 0, 1.15}, // copy {"Nb5+", 7.054, 0, 1.15}, // copy {"Mo", 6.715, 0, 2.48}, {"Mo3+", 6.715, 0, 2.48}, // copy {"Mo5+", 6.715, 0, 2.48}, // copy {"Mo6+", 6.715, 0, 2.48}, // copy {"Tc", 6.8, 0, 20.}, {"Ru", 7.03, 0, 2.56}, {"Ru3+", 7.03, 0, 2.56}, // copy {"Ru4+", 7.03, 0, 2.56}, // copy {"Rh", 5.88, 0, 144.8}, {"Rh3+", 5.88, 0, 144.8}, // copy {"Rh4+", 5.88, 0, 144.8}, // copy {"Pd", 5.91, 0, 6.9}, {"Pd2+", 5.91, 0, 6.9}, // copy {"Pd4+", 5.91, 0, 6.9}, // copy {"Ag", 5.922, 0, 63.3}, {"Ag1+", 5.922, 0, 63.3}, // copy {"Ag2+", 5.922, 0, 63.3}, // copy {"Cd", 4.87, -0.70, 2520.}, {"Cd2+", 4.87, -0.70, 2520.}, // copy {"In", 4.065, -0.0539, 193.8}, {"In3+", 4.065, -0.0539, 193.8}, // copy {"Sn", 6.225, 0, 0.626}, {"Sn2+", 6.225, 0, 0.626}, // copy {"Sn4+", 6.225, 0, 0.626}, // copy {"Sb", 5.57, 0, 4.91}, {"Sb3+", 5.57, 0, 4.91}, {"Sb5+", 5.57, 0, 4.91}, {"Te", 5.80, 0, 4.7}, {"I", 5.28, 0, 6.15}, {"I1-", 5.28, 0, 6.15}, // copy {"Xe", 4.92, 0, 23.9}, {"Cs", 5.42, 0, 29.0}, {"Cs1+", 5.42, 0, 29.0}, // copy {"Ba", 5.07, 0, 1.1}, {"Ba2+", 5.07, 0, 1.1}, // copy {"La", 8.24, 0, 8.97}, {"La3+", 8.24, 0, 8.97}, // copy {"Ce", 4.84, 0, 0.63}, {"Ce3+", 4.84, 0, 0.63}, // copy {"Ce4+", 4.84, 0, 0.63}, // copy {"Pr", 4.58, 0, 11.5}, {"Pr3+", 4.58, 0, 11.5}, // copy {"Pr4+", 4.58, 0, 11.5}, // copy {"Nd", 7.69, 0, 50.5}, {"Nd3+", 7.69, 0, 50.5}, // copy {"Pm", 12.6, 0, 168.4}, {"Pm3+", 12.6, 0, 168.4}, // copy {"Sm", 0.80, -1.65, 5922.}, {"Sm3+", 0.80, -1.65, 5922.}, // copy {"Eu", 7.22, -1.26, 4530.}, {"Eu2+", 7.22, -1.26, 4530.}, // copy {"Eu3+", 7.22, -1.26, 4530.}, // copy {"Gd", 6.5, -13.82, 49700.}, {"Gd3+", 6.5, -13.82, 49700.}, // copy {"Tb", 7.38, 0, 23.4}, {"Tb3+", 7.38, 0, 23.4}, // copy {"Dy", 16.9, -0.276, 994.}, {"Dy3+", 16.9, -0.276, 994.}, // copy {"Ho", 8.01, 0, 64.7}, {"Ho3+", 8.01, 0, 64.7}, // copy {"Er", 7.79, 0, 159.}, {"Er3+", 7.79, 0, 159.}, // copy {"Tm", 7.07, 0, 100.}, {"Tm3+", 7.07, 0, 100.}, // copy {"Yb", 12.43, 0, 34.8}, {"Yb2+", 12.43, 0, 34.8}, // copy {"Yb3+", 12.43, 0, 34.8}, // copy {"Lu", 7.21, 0, 74.}, {"Lu3+", 7.21, 0, 74.}, // copy {"Hf", 7.7, 0, 104.1}, {"Hf4+", 7.7, 0, 104.1}, // copy {"Ta", 6.91, 0, 20.6}, {"Ta5+", 6.91, 0, 20.6}, // copy {"W", 4.86, 0, 18.3}, {"W6+", 4.86, 0, 18.3}, // copy {"Re", 9.2, 0, 89.7}, {"Os", 10.7, 0, 16}, {"Os4+", 10.7, 0, 16}, // copy {"Ir", 10.6, 0, 425.}, {"Ir3+", 10.6, 0, 425.}, // copy {"Ir4+", 10.6, 0, 425.}, // copy {"Pt", 9.60, 0, 10.3}, {"Pt2+", 9.60, 0, 10.3}, // copy {"Pt4+", 9.60, 0, 10.3}, // copy {"Au", 7.63, 0, 98.65}, {"Au1+", 7.63, 0, 98.65}, // copy {"Au3+", 7.63, 0, 98.65}, // copy {"Hg", 12.692, 0, 372.3}, {"Hg1+", 12.692, 0, 372.3}, // copy {"Hg2+", 12.692, 0, 372.3}, // copy {"Tl", 8.776, 0, 3.43}, {"Tl1+", 8.776, 0, 3.43}, // copy {"Tl3+", 8.776, 0, 3.43}, // copy {"Pb", 9.405, 0, 0.171}, {"Pb2+", 9.405, 0, 0.171}, // copy {"Pb4+", 9.405, 0, 0.171}, // copy {"Bi", 8.532, 0, 0.0338}, {"Bi3+", 8.532, 0, 0.0338}, // copy {"Bi5+", 8.532, 0, 0.0338}, // copy {"Th", 10.31, 0, 7.37}, {"Th4+", 10.31, 0, 7.37}, // copy {"U", 8.417, 0, 7.57}, {"U3+", 8.417, 0, 7.57}, // copy {"U4+", 8.417, 0, 7.57}, // copy {"U6+", 8.417, 0, 7.57}, // copy {0, 0, 0, 0} // END_COMPILED_IN_REFERENCE_DATA }; const raw_record_neutron_news_1992* find_record(std::string const& work_label, bool exact) { int m = 0; const raw_record_neutron_news_1992* matching_record = 0; for (const raw_record_neutron_news_1992* r=table; r->label; r++) { int i = basic::match_labels(work_label, r->label); if (i < 0) return r; if (i > m) { m = i; matching_record = r; } } if (exact || !matching_record) { throw std::invalid_argument("Unknown element label:" + work_label); } return matching_record; } } // namespace } // namespace detail neutron_news_1992_table::neutron_news_1992_table(std::string const& label, bool exact) { std::string work_label = basic::strip_label(label, exact); record_ = detail::find_record(work_label, exact); } neutron_news_1992_table_iterator::neutron_news_1992_table_iterator() : current_("H", true) {} neutron_news_1992_table neutron_news_1992_table_iterator::next() { neutron_news_1992_table result = current_; if (current_.is_valid()) current_.record_++; return result; } }}} // namespace cctbx::eltbx::neutron